data_2mfc_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 2mfc _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 ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.499 -0.185 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.72 104.96 9.31 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.45 148.13 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.09 163.81 31.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -125.35 138.99 54.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.613 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -146.55 133.72 20.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.128 -176.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 2.8 tptm -80.66 148.1 30.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.37 135.78 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.873 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.57 -5.98 44.64 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.016 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -108.06 -174.59 2.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.692 1.246 . . . . 0.0 110.753 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m -140.02 170.3 16.1 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -144.49 165.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.446 1.898 . . . . 0.0 107.471 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -138.1 153.89 49.25 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.463 -0.773 . . . . 0.0 112.12 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -142.27 143.72 25.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.85 40.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -129.76 10.79 5.6 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.316 0.646 . . . . 0.0 109.549 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.53 9.14 2.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.737 0.815 . . . . 0.0 111.736 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.73 147.02 32.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 119.14 0.882 . . . . 0.0 110.544 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -138.38 154.76 48.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 108.429 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.61 148.99 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -144.33 126.0 15.1 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -79.87 89.37 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -64.69 -30.47 71.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.297 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.609 174.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.37 163.47 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 122.795 0.438 . . . . 0.0 110.255 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -153.66 106.82 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.69 -97.35 0.41 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -126.14 -0.49 7.12 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.281 0.632 . . . . 0.0 110.677 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.88 160.42 32.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.2 119.51 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -79.31 119.83 22.92 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.84 124.58 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.32 148.48 18.89 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' C' ' 1' ' ' MET . 61.9 mt -136.19 145.04 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -136.28 103.32 5.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.28 57.76 Favored Pre-proline 0 N--CA 1.45 -0.432 0 C-N-CA 123.829 0.852 . . . . 0.0 108.873 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.43 151.04 64.98 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.109 2.539 . . . . 0.0 110.096 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.21 -2.09 2.72 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.113 -0.367 . . . . 0.0 110.48 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.92 -11.29 60.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.326 1.051 . . . . 0.0 110.733 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.16 160.49 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.663 0.785 . . . . 0.0 109.409 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.75 157.29 16.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.377 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.36 133.79 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -156.6 170.72 21.73 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -72.77 160.24 32.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.12 -23.37 65.81 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.144 -0.347 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.69 -3.31 58.48 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.058 0.543 . . . . 0.0 111.654 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -119.03 -33.54 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 123.735 0.814 . . . . 0.0 110.137 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -56.71 -36.97 70.29 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 122.188 -0.32 . . . . 0.0 110.97 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -65.22 -20.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.475 -0.141 . . . . 0.0 111.147 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.08 -35.67 18.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.678 0.391 . . . . 0.0 111.396 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.373 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.4 110.63 13.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.82 146.48 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -141.03 159.92 41.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -118.62 142.48 47.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.61 127.99 14.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.096 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -76.48 150.81 36.6 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.3 140.15 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.795 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.55 -2.82 62.92 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.839 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -105.88 -175.19 2.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.489 1.144 . . . . 0.0 110.507 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -139.83 168.15 20.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -141.75 165.49 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 126.383 1.873 . . . . 0.0 107.537 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -140.29 153.54 46.51 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.516 -0.74 . . . . 0.0 112.683 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 108.744 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.62 -140.24 40.99 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.74 10.71 5.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.655 0.782 . . . . 0.0 109.681 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.67 8.95 1.97 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.491 0.716 . . . . 0.0 111.986 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 144.98 36.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 CA-C-N 119.205 0.912 . . . . 0.0 110.215 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -137.56 156.03 48.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -136.87 147.99 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.5 m -142.09 125.3 16.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -80.33 91.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -66.09 -31.4 72.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.932 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.0 -172.86 35.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.945 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.59 160.64 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 122.718 0.407 . . . . 0.0 110.444 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 p -153.14 113.93 4.09 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.79 -100.56 0.45 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -172.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.35 -0.48 7.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.866 0.466 . . . . 0.0 110.447 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.6 mt-30 -74.09 154.93 38.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -141.87 119.92 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 53.0 mtt85 -78.98 118.47 21.01 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 mt -121.58 119.54 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.44 151.9 20.03 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -136.1 145.01 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.48 104.7 5.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.3 154.84 50.07 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.732 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.12 151.93 61.77 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.883 2.389 . . . . 0.0 110.141 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.71 -2.28 3.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.338 -0.226 . . . . 0.0 110.522 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.13 -11.48 59.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.253 1.021 . . . . 0.0 110.919 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.12 160.6 32.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.918 0.887 . . . . 0.0 109.397 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 156.79 17.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.38 133.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -158.16 167.54 29.54 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 122.684 0.394 . . . . 0.0 110.975 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -69.75 160.54 31.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -67.05 -23.52 65.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.85 -5.45 59.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.894 0.478 . . . . 0.0 111.919 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 mm -115.52 -35.18 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 C-N-CA 123.749 0.82 . . . . 0.0 110.075 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -54.95 -37.72 66.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.931 0.332 . . . . 0.0 111.183 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.44 -20.56 66.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.098 0.159 . . . . 0.0 111.287 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -87.23 -31.54 20.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.589 0.356 . . . . 0.0 111.549 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.109 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 119.675 -0.202 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.65 109.18 11.81 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.3 145.34 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.81 134.97 25.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -93.62 143.69 26.07 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.623 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -146.41 129.38 16.4 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 3.3 tptm -78.62 146.38 34.15 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 175.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -56.41 123.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.55 -6.81 16.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.237 -0.757 . . . . 0.0 113.396 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -108.29 -174.69 2.58 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.844 1.322 . . . . 0.0 111.538 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 m -140.48 169.88 16.84 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -171.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.61 164.78 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.363 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -136.76 153.56 50.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.651 0.66 . . . . 0.0 111.689 -175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -142.76 138.97 28.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.099 0.96 . . . . 0.0 108.73 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.89 -139.32 40.52 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.26 10.35 5.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.353 0.661 . . . . 0.0 110.176 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -138.0 7.91 2.72 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.327 0.651 . . . . 0.0 111.724 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.54 145.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.977 0.808 . . . . 0.0 110.592 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.2 m -138.69 154.74 48.61 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -133.95 148.93 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -142.08 144.51 33.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.74 90.69 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.55 -30.78 71.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.056 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.46 -167.58 33.54 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.25 167.22 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.226 0.536 . . . . 0.0 110.369 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -145.85 60.84 1.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.988 1.315 . . . . 0.0 107.864 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -114.42 3.83 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.458 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -94.67 -2.63 50.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.97 160.71 23.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -138.82 123.76 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -82.26 116.55 21.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -118.34 136.54 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.94 148.63 17.79 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.8 mt -134.55 145.16 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -136.4 103.67 5.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.59 155.88 56.63 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.779 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.81 152.07 57.89 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.529 2.152 . . . . 0.0 110.248 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.55 -4.39 5.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.052 -0.405 . . . . 0.0 110.47 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.07 -9.28 44.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.298 1.039 . . . . 0.0 111.332 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.87 160.65 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.585 0.754 . . . . 0.0 109.28 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.25 156.98 17.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 111.856 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.41 135.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -157.02 167.71 29.64 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 111.558 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -68.01 154.26 41.99 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 169.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.11 -23.85 67.26 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.562 0.619 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.04 -4.4 56.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.851 0.461 . . . . 0.0 111.742 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.24 -35.24 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 110.23 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -56.26 -37.05 69.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 117.89 0.314 . . . . 0.0 111.146 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.42 -20.68 66.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.483 -0.136 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -86.72 -36.19 18.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.551 0.34 . . . . 0.0 111.003 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.784 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 107.86 11.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.77 147.18 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -139.46 157.9 45.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -118.86 139.45 51.6 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.61 129.36 16.17 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.606 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 2.7 tptm -78.77 149.16 32.71 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.17 130.68 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.06 0.05 41.39 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.979 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -111.22 -176.38 2.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.323 1.062 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -140.64 169.76 17.05 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.39 165.33 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 126.142 1.777 . . . . 0.0 107.41 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -138.79 153.95 48.44 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.498 -0.751 . . . . 0.0 112.391 -176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -142.9 143.31 25.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.976 0.91 . . . . 0.0 108.853 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.25 -140.56 42.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.62 10.12 5.58 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.603 0.761 . . . . 0.0 109.702 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.73 9.7 1.99 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.393 0.677 . . . . 0.0 112.101 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.39 146.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.2 0 CA-C-N 119.045 0.839 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -137.43 154.24 49.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -134.46 149.1 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -141.46 150.86 42.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.66 88.25 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.13 -30.83 71.9 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.208 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.55 -168.46 33.75 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.945 175.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.93 161.83 40.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.0 p -153.5 98.23 2.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.62 -125.34 11.47 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.8 mp0 -99.02 1.52 45.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.64 160.63 26.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -140.86 117.27 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -77.66 111.55 13.56 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -109.34 145.4 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.71 16.94 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -137.1 145.37 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -136.88 104.16 5.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.09 155.01 58.66 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.98 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 151.05 67.78 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.759 2.306 . . . . 0.0 110.198 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.12 -2.59 2.95 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.369 -0.207 . . . . 0.0 110.616 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.93 -11.34 58.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.307 1.043 . . . . 0.0 110.913 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 160.51 30.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 123.709 0.803 . . . . 0.0 109.526 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.53 156.18 17.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.13 132.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -157.62 166.84 31.81 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 122.389 0.275 . . . . 0.0 111.029 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.11 160.69 28.47 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -66.68 -23.72 66.17 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.032 -0.417 . . . . 0.0 110.519 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -85.85 -5.56 59.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.224 0.609 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.5 mm -114.22 -35.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 123.586 0.755 . . . . 0.0 109.875 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -54.94 -39.27 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.93 0.332 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.26 -20.72 66.55 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.89 -32.65 21.54 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.685 0.394 . . . . 0.0 111.65 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.3 tpp . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.829 -0.129 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.68 111.78 14.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.65 145.74 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.149 0.58 . . . . 0.0 109.692 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -143.13 134.74 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -90.2 146.45 24.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.575 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -149.52 131.15 14.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.977 -0.452 . . . . 0.0 110.65 178.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -80.29 147.7 31.04 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.8 m -56.61 127.29 15.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.24 -4.69 26.83 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.192 -0.782 . . . . 0.0 113.063 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.0 -174.73 2.54 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.665 1.233 . . . . 0.0 111.394 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -140.41 171.35 14.26 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -144.35 165.15 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.452 1.901 . . . . 0.0 107.253 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -136.82 153.76 50.71 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.907 0.776 . . . . 0.0 112.799 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -142.79 142.42 26.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.201 1.0 . . . . 0.0 108.375 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -140.8 34.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.08 11.38 5.51 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.13 0.572 . . . . 0.0 110.168 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -137.31 8.38 2.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.599 0.759 . . . . 0.0 111.771 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.74 146.85 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 119.28 0.946 . . . . 0.0 110.858 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -139.32 154.98 47.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -134.23 149.27 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 m -142.18 151.11 41.88 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.35 91.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.11 -30.41 70.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.149 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.36 -171.1 34.6 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.264 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -135.31 164.33 33.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 122.626 0.371 . . . . 0.0 110.532 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -153.55 109.03 3.22 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.91 -98.01 0.33 Allowed Glycine 0 C--N 1.333 0.41 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.13 3.5 7.17 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 110.474 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 16.6 mt-30 -74.14 160.27 31.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.91 118.78 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -81.4 119.22 23.42 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -119.35 140.06 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 149.07 18.67 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 63.0 mt -134.92 144.4 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.54 103.68 5.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.12 155.71 58.35 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.162 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.19 151.48 60.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.869 2.379 . . . . 0.0 110.037 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.39 -5.03 6.46 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.238 -0.289 . . . . 0.0 110.401 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -67.35 -8.59 33.78 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.4 1.08 . . . . 0.0 111.39 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.67 161.42 30.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.484 0.713 . . . . 0.0 109.433 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.2 156.93 17.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 111.5 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.13 132.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -157.16 165.25 36.52 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtp-105 -64.86 154.29 37.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.1 -23.95 67.51 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.88 -0.512 . . . . 0.0 112.288 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.5 -8.41 54.91 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.223 0.465 . . . . 0.0 111.717 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -102.76 -35.48 3.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 123.376 0.67 . . . . 0.0 109.728 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.96 -43.15 73.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.856 0.298 . . . . 0.0 110.661 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -64.01 -20.41 65.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.051 0.14 . . . . 0.0 111.061 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -84.89 -36.23 21.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.194 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.056 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.8 tpp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 119.999 -0.048 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 110.0 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 176.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.23 145.12 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.38 135.07 26.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -96.8 147.08 24.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.11 161.81 41.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.49 174.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 2.5 tptm -103.26 152.6 21.32 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -56.21 131.12 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.487 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.99 -7.92 33.3 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.174 -0.792 . . . . 0.0 113.682 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -98.75 -179.1 4.19 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.813 1.307 . . . . 0.0 112.562 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m -139.84 166.07 25.62 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mt -144.11 165.4 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 126.298 1.839 . . . . 0.0 107.959 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.09 153.08 52.15 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-O 121.511 0.672 . . . . 0.0 112.383 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.22 143.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 124.625 1.17 . . . . 0.0 108.055 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.52 -140.49 36.96 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -130.25 10.67 5.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.455 0.702 . . . . 0.0 110.177 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -137.41 9.26 2.92 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.614 0.766 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.56 146.72 33.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.089 0.859 . . . . 0.0 110.69 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -139.43 155.62 47.49 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -133.75 149.22 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -140.29 152.1 45.61 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -112.2 86.11 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.46 -28.54 69.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.81 -168.82 32.92 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.723 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.8 163.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 122.723 0.409 . . . . 0.0 110.033 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -152.65 89.24 1.39 Allowed 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.29 -120.53 7.15 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.88 1.72 43.14 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 117.12 0.46 . . . . 0.0 109.84 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.4 160.5 26.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -140.65 118.32 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -80.14 113.16 18.11 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.19 142.34 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 149.56 18.63 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.3 mt -134.73 144.94 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -136.41 103.34 5.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.72 155.22 59.91 Favored Pre-proline 0 N--CA 1.454 -0.269 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.114 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.74 152.04 58.27 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.716 2.277 . . . . 0.0 109.71 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.92 -4.26 6.63 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.291 -0.255 . . . . 0.0 110.538 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.7 -9.05 40.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.338 1.055 . . . . 0.0 110.976 171.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.93 160.63 29.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 123.693 0.797 . . . . 0.0 109.454 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.83 156.6 17.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.277 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.34 136.82 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -155.24 166.59 33.09 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.54 0.686 . . . . 0.0 111.597 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -70.68 150.73 45.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -62.15 -23.88 66.84 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.51 -0.744 . . . . 0.0 112.323 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -86.18 -0.83 56.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.966 -0.459 . . . . 0.0 111.679 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 mm -117.5 -34.65 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 124.447 1.099 . . . . 0.0 110.09 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -56.31 -38.82 71.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.041 0.382 . . . . 0.0 110.687 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.41 -20.98 66.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 122.469 -0.144 . . . . 0.0 110.979 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -84.29 -37.1 22.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.394 0.278 . . . . 0.0 111.351 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.223 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.435 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.779 -0.082 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.65 110.11 11.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.91 147.75 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.76 161.09 38.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.13 139.54 53.2 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -146.64 135.6 22.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.303 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.1 tptm -81.86 149.39 28.32 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.97 138.55 16.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.846 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.63 -1.42 58.38 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.983 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -110.67 -177.12 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.394 1.097 . . . . 0.0 110.828 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 m -138.01 170.57 15.81 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -144.36 165.83 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.277 1.831 . . . . 0.0 107.106 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.18 153.6 50.4 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.014 0.825 . . . . 0.0 112.119 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -144.69 140.22 23.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.691 0.797 . . . . 0.0 109.089 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.02 -140.15 39.43 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.36 10.93 5.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 110.519 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -139.06 8.56 2.5 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.732 0.813 . . . . 0.0 111.976 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.75 146.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-N 119.112 0.869 . . . . 0.0 110.497 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -140.32 156.86 46.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.03 149.12 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -142.28 127.33 18.45 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.64 93.91 2.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.03 -30.74 70.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.698 -174.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.88 -170.82 35.4 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.979 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.64 160.51 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.976 0.51 . . . . 0.0 109.767 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -148.02 82.61 1.5 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 -115.35 4.35 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -101.81 0.21 35.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.53 158.94 28.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.887 0.375 . . . . 0.0 110.084 172.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.5 122.41 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -83.64 121.64 27.53 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -121.96 127.78 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.72 150.65 17.58 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -135.02 145.16 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -135.21 103.51 5.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.44 53.55 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.089 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.7 153.37 54.01 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.124 2.55 . . . . 0.0 110.289 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 4.3 mmmp? -66.09 -2.62 4.32 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.08 -0.387 . . . . 0.0 110.633 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.84 -11.33 60.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.811 0.844 . . . . 0.0 110.627 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.31 161.27 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.8 0.84 . . . . 0.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.78 157.46 17.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 111.548 -175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.47 134.04 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.05 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -157.17 168.96 25.89 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.375 0.27 . . . . 0.0 111.427 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -70.3 161.13 30.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -66.44 -23.82 66.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.98 -7.41 59.16 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.828 0.451 . . . . 0.0 112.034 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -114.14 -33.25 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 123.648 0.779 . . . . 0.0 109.953 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -57.03 -36.92 71.02 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.207 -0.308 . . . . 0.0 110.821 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.08 -20.83 66.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.43 -0.169 . . . . 0.0 110.9 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.69 -36.78 18.52 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.51 0.324 . . . . 0.0 111.303 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.469 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.83 108.46 10.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.35 146.89 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.08 159.5 42.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -121.36 146.24 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.415 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.5 mmp_? -143.69 163.49 33.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 6.5 tptm -111.03 151.82 27.58 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -56.3 114.44 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.455 0.57 . . . . 0.0 110.159 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.08 6.08 10.24 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.666 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -116.13 -179.84 3.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.198 0.999 . . . . 0.0 111.149 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.1 m -141.94 167.86 21.12 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -142.85 165.24 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 126.555 1.942 . . . . 0.0 107.077 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -137.89 153.28 49.57 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.447 -0.783 . . . . 0.0 112.202 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -142.2 142.22 27.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -140.05 36.77 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.35 12.68 5.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.472 0.709 . . . . 0.0 110.208 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -137.61 8.4 2.83 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.706 0.802 . . . . 0.0 111.93 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.13 145.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 119.296 0.953 . . . . 0.0 110.839 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.0 m -138.74 155.51 48.16 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.213 1.005 . . . . 0.0 108.408 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -135.1 147.95 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -143.64 130.98 20.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -86.37 99.93 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.43 -30.91 62.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.2 -173.92 36.08 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.599 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.6 160.72 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.97 0.385 . . . . 0.0 110.639 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.8 m -149.28 104.67 3.41 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.45 -98.82 0.42 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -123.3 -0.75 8.76 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.231 0.612 . . . . 0.0 110.558 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.422 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.0 mt-30 -73.88 155.14 39.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.37 120.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -78.8 121.03 24.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.47 128.51 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.71 149.38 17.68 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.2 mt -135.15 145.07 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.04 103.7 5.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.01 154.4 54.65 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.023 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.39 151.51 65.5 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.711 2.274 . . . . 0.0 110.226 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.2 -1.3 2.16 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.06 -0.4 . . . . 0.0 110.461 175.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.89 -10.66 59.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.202 1.001 . . . . 0.0 110.869 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.29 160.53 32.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.439 0.696 . . . . 0.0 109.602 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.71 156.24 17.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 111.282 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.53 134.27 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -158.0 173.84 16.14 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.688 0.28 . . . . 0.0 111.387 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -71.4 163.85 26.89 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -64.77 -31.01 72.05 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.217 -0.302 . . . . 0.0 110.761 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.12 -50.56 61.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.232 0.539 . . . . 0.0 110.432 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.75 -33.5 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.664 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -57.19 -42.54 81.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.69 -20.94 66.48 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.253 -0.28 . . . . 0.0 110.577 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -83.07 -37.89 23.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.41 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.042 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 108.26 10.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.43 145.14 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.31 0.644 . . . . 0.0 109.355 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.65 134.82 25.72 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -95.92 144.67 26.04 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -142.98 163.77 31.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 6.3 tptm -112.75 154.3 26.39 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -54.97 113.92 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 118.512 0.596 . . . . 0.0 110.604 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.23 -17.62 9.04 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 123.915 0.769 . . . . 0.0 112.608 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -81.25 -178.62 7.0 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.086 0.943 . . . . 0.0 111.638 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -142.99 168.54 19.46 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -143.94 165.95 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.067 1.747 . . . . 0.0 107.411 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -137.43 153.58 50.1 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.453 -0.78 . . . . 0.0 112.146 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.03 144.09 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -140.72 39.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.72 10.7 5.61 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.439 0.696 . . . . 0.0 109.657 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -140.8 8.95 2.15 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.442 0.697 . . . . 0.0 111.749 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 145.95 34.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.033 0.833 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -137.34 155.21 49.68 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -134.27 148.93 29.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.4 m -141.69 150.16 41.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.17 93.42 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.62 -29.99 71.01 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.191 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.38 -169.16 34.32 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 118.432 0.56 . . . . 0.0 113.128 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.46 163.12 37.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 109.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 p -152.94 93.94 1.8 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.8 -122.16 8.17 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.84 2.01 43.51 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -78.78 160.12 27.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.056 0.455 . . . . 0.0 109.998 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -142.22 120.3 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -80.42 121.73 26.09 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -121.03 146.2 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.6 152.19 16.87 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -137.07 145.41 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -135.16 104.95 6.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.75 154.92 48.35 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.136 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.51 151.7 53.4 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.038 2.492 . . . . 0.0 110.334 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -63.57 -4.46 2.92 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.12 -0.362 . . . . 0.0 110.669 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.81 -11.93 57.07 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.229 1.011 . . . . 0.0 110.928 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.16 160.24 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.613 0.765 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.48 154.58 18.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.321 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -153.62 128.74 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.059 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -156.61 163.52 39.24 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.26 159.79 23.0 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -66.0 -24.19 66.72 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.365 -0.209 . . . . 0.0 110.467 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.78 -5.96 59.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.815 0.446 . . . . 0.0 112.063 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -113.87 -35.48 2.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.099 0 C-N-CA 123.658 0.783 . . . . 0.0 110.249 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.28 -37.64 67.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.064 0.393 . . . . 0.0 111.282 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -65.49 -21.15 66.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.405 -0.184 . . . . 0.0 111.163 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -87.53 -31.76 19.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.975 0.51 . . . . 0.0 111.625 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.408 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 108.36 10.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 173.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.26 144.58 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.123 0.569 . . . . 0.0 109.48 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.06 134.35 26.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 172.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -95.78 149.17 21.8 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.14 164.56 38.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.145 174.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -106.58 151.55 24.88 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -55.64 122.48 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.35 -2.68 20.47 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 119.327 -0.707 . . . . 0.0 113.148 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -107.49 -179.97 4.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.672 1.236 . . . . 0.0 112.402 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -138.81 168.1 20.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -144.06 165.26 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.581 1.952 . . . . 0.0 107.653 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -133.01 153.3 51.61 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 121.288 0.566 . . . . 0.0 112.209 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -143.49 143.04 24.83 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.14 -140.7 35.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.38 12.39 5.48 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.807 0.843 . . . . 0.0 110.026 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -138.82 8.23 2.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.525 0.73 . . . . 0.0 111.903 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.93 146.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 118.921 0.782 . . . . 0.0 110.667 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.6 m -139.97 155.73 46.98 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.197 0.999 . . . . 0.0 108.441 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -133.36 149.2 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.091 0.956 . . . . 0.0 108.434 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.02 151.95 42.93 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 tp -112.64 88.96 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.59 -29.54 70.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.573 -174.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.87 -167.75 34.31 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.732 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.17 164.7 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 123.032 0.533 . . . . 0.0 109.953 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -146.54 78.68 1.51 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -114.58 4.2 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.421 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.8 mp0 -98.17 -1.32 42.43 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -75.29 160.42 30.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.045 0.45 . . . . 0.0 110.342 171.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -143.4 115.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -80.89 113.12 18.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.5 145.24 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.07 150.8 17.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.82 145.56 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -135.69 105.23 6.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.69 155.59 52.55 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 123.656 0.783 . . . . 0.0 109.532 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.14 152.74 62.39 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.858 2.372 . . . . 0.0 110.218 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.582 ' HZ1' ' HB3' ' C' ' 38' ' ' LYS . 4.6 mmmp? -65.48 -3.01 3.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.319 0.248 . . . . 0.0 110.591 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.09 -10.66 55.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.52 0.728 . . . . 0.0 111.092 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.87 160.44 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 124.088 0.955 . . . . 0.0 109.858 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.88 156.01 17.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.611 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -152.93 132.7 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -157.06 169.13 25.5 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.674 0.389 . . . . 0.0 110.952 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -69.58 165.23 21.54 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -64.81 -24.05 67.43 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.703 0.229 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -74.09 -50.77 18.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.706 0.765 . . . . 0.0 110.228 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -72.33 -32.93 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.926 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.88 -43.53 77.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.925 0.33 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.88 -20.49 65.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.877 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.37 -38.73 26.16 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.47 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.535 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 46.9 tpp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 109.99 13.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.08 143.47 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.436 0.694 . . . . 0.0 109.3 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.62 134.86 27.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.1 p -93.45 146.42 23.77 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.429 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -145.46 137.54 25.57 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.303 0.641 . . . . 0.0 109.687 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 4.2 tptm -82.4 155.54 24.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 172.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.66 124.08 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 118.671 0.668 . . . . 0.0 109.932 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.37 -16.44 22.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.578 0.609 . . . . 0.0 112.437 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -83.15 -178.11 6.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.71 0.755 . . . . 0.0 111.167 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -142.21 166.81 23.68 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.95 165.42 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.505 1.922 . . . . 0.0 107.625 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.19 153.61 47.92 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.597 -0.69 . . . . 0.0 112.076 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -143.27 144.95 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.991 0.916 . . . . 0.0 108.545 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -140.35 37.36 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.07 10.76 5.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.362 0.665 . . . . 0.0 109.604 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -139.24 8.55 2.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.54 0.736 . . . . 0.0 111.752 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.43 145.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.935 0.788 . . . . 0.0 110.314 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -137.17 154.73 50.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -136.47 149.07 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -140.05 151.15 45.18 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.06 92.72 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.02 -31.73 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.178 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 -168.68 34.32 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.807 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.81 163.03 37.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.088 0.555 . . . . 0.0 109.85 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -148.73 80.77 1.44 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.56 -116.09 4.58 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -171.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.41 -0.82 40.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -76.6 159.46 30.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -142.66 118.68 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -81.38 117.58 21.96 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.39 142.61 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.82 150.85 17.01 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' C' ' 1' ' ' MET . 70.8 mt -135.93 145.24 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -136.16 104.19 5.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.04 155.61 58.64 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.336 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.31 151.75 66.12 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.087 2.525 . . . . 0.0 110.419 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 4.4 mmmp? -65.53 -2.14 3.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 122.274 -0.266 . . . . 0.0 110.642 175.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.19 -10.87 57.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.849 0.86 . . . . 0.0 110.698 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.87 160.79 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.934 0.893 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 157.01 17.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.49 0.186 . . . . 0.0 111.308 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 134.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -158.25 162.08 37.8 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.934 0.494 . . . . 0.0 110.37 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -74.94 159.01 32.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.23 -24.23 66.2 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.01 -4.26 59.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.938 -0.477 . . . . 0.0 112.027 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.99 -35.49 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.655 0.782 . . . . 0.0 109.64 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.98 -38.21 70.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.891 0.314 . . . . 0.0 111.148 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -65.22 -21.26 66.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.39 -0.193 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -83.6 -36.43 23.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.935 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.776 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 48.0 tpp . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 119.658 -0.21 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.66 109.31 11.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.74 145.12 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -143.35 134.88 26.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -94.72 148.09 22.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -145.54 164.32 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -111.55 152.67 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.4 114.92 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.531 0.605 . . . . 0.0 110.006 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.88 6.27 11.34 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.684 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -114.71 -176.4 2.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.119 0.96 . . . . 0.0 111.117 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.3 m -145.83 167.79 22.36 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.87 163.09 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.768 1.627 . . . . 0.0 107.363 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -134.67 153.39 52.01 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.376 0.67 . . . . 0.0 111.801 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.77 138.77 28.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.07 -139.61 40.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.1 10.88 5.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.242 0.617 . . . . 0.0 110.617 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -137.13 7.89 2.92 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.374 0.67 . . . . 0.0 112.038 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.81 144.38 37.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 CA-C-N 119.077 0.853 . . . . 0.0 110.721 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -139.81 156.46 46.73 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -135.03 149.09 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -142.04 128.08 19.61 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.74 92.67 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.75 -32.87 74.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.997 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -167.48 34.07 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.608 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.4 162.61 39.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -148.68 83.68 1.47 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.9 -116.17 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 -172.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.417 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.9 mp0 -101.61 0.99 37.28 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -79.31 160.58 26.72 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.28 120.06 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -81.43 119.03 23.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.78 129.01 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.15 150.11 17.67 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' MET . 61.6 mt -135.07 144.86 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -136.2 104.03 5.51 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.6 155.17 56.82 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.855 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.93 150.72 67.56 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.871 2.381 . . . . 0.0 109.867 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -66.67 -1.12 3.4 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 122.316 -0.24 . . . . 0.0 110.414 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.57 -11.73 60.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.423 1.089 . . . . 0.0 110.909 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.34 160.69 31.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.86 0.864 . . . . 0.0 109.698 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.94 157.11 16.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.01 135.05 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -156.97 169.78 24.02 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.911 0.386 . . . . 0.0 111.458 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -71.47 160.26 33.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -68.41 -23.47 64.64 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.58 -6.34 59.42 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.66 0.384 . . . . 0.0 111.668 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.06 -36.05 2.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 123.717 0.807 . . . . 0.0 110.617 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.16 -37.62 69.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 122.479 -0.138 . . . . 0.0 111.109 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -65.39 -20.61 66.45 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.229 0.211 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -85.76 -35.86 20.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.325 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.1 tpp . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.62 110.79 12.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 176.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.73 145.74 7.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.338 0.655 . . . . 0.0 109.536 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.9 mt -141.4 158.99 43.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.04 143.61 48.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.0 mmp_? -145.65 135.02 23.05 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.262 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.9 153.84 30.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 171.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.7 129.73 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.245 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.21 -16.75 29.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.578 0.608 . . . . 0.0 112.46 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -84.59 -179.77 7.21 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.036 0.918 . . . . 0.0 111.334 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -140.66 167.41 22.24 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.9 mm -142.54 165.49 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.314 1.846 . . . . 0.0 107.597 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -138.98 153.33 48.16 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.627 -0.67 . . . . 0.0 112.286 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -143.5 145.37 22.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -140.29 42.92 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.23 10.76 5.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.642 0.777 . . . . 0.0 109.459 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -142.53 9.64 1.81 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.214 0.606 . . . . 0.0 111.864 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.07 145.72 35.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 118.904 0.775 . . . . 0.0 110.75 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -138.51 154.82 48.8 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.478 1.111 . . . . 0.0 108.259 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -135.68 148.23 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.6 m -143.03 124.38 14.67 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -77.7 96.24 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.87 -30.98 68.57 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.982 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.61 -174.01 35.67 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.074 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.39 160.71 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.758 0.279 . . . . 0.0 110.918 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.13 105.97 3.43 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -97.07 0.33 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 7.5 mm-40 -126.51 -0.54 6.87 Favored 'General case' 0 CA--C 1.524 -0.057 0 C-N-CA 123.414 0.685 . . . . 0.0 110.163 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 25.6 mt-30 -74.29 153.94 39.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.51 117.44 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.75 120.2 21.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -122.05 120.14 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.97 148.79 19.19 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.33 144.16 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.23 103.46 5.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.63 155.38 56.64 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.062 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.14 151.91 55.78 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.031 2.487 . . . . 0.0 110.079 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.19 -3.6 2.91 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.363 0.265 . . . . 0.0 110.493 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.04 -11.2 58.54 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.096 0.958 . . . . 0.0 110.905 173.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.45 160.8 31.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.578 0.751 . . . . 0.0 109.55 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.4 157.32 16.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.649 0.261 . . . . 0.0 111.475 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.34 133.93 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -157.59 168.47 27.17 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.626 0.37 . . . . 0.0 111.531 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -70.87 159.37 34.75 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -64.99 -23.68 67.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.616 -0.677 . . . . 0.0 111.001 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -87.11 0.08 55.83 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.853 0.461 . . . . 0.0 112.018 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.8 mm -119.03 -33.85 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 123.622 0.769 . . . . 0.0 109.801 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -56.43 -40.62 75.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.157 -0.339 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.23 -20.65 65.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 122.302 -0.249 . . . . 0.0 111.241 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -86.82 -35.46 19.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.465 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.53 0.196 0 CA-C-N 118.634 0.652 . . . . 0.0 109.489 176.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.57 106.47 10.16 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -83.47 147.16 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -141.11 157.66 44.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -118.49 145.13 45.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -149.96 137.94 20.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.406 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.413 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.8 tptm -82.64 149.42 27.4 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -56.23 139.48 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.686 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 0.48 60.13 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -114.47 -176.52 2.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.401 1.101 . . . . 0.0 110.47 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -139.65 169.33 17.92 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -169.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -144.4 165.41 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.441 1.897 . . . . 0.0 107.483 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.27 153.78 50.26 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.492 0.587 . . . . 0.0 112.448 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.09 145.66 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.226 1.01 . . . . 0.0 108.519 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 -142.06 38.19 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.04 10.53 5.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.7 0.8 . . . . 0.0 109.6 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.39 8.97 2.03 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.79 0.836 . . . . 0.0 111.854 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.59 146.92 33.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 119.155 0.889 . . . . 0.0 111.067 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -138.08 155.1 49.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.303 1.041 . . . . 0.0 108.352 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.54 146.67 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.6 m -140.85 122.42 15.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.58 90.01 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.5 -30.84 71.66 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.436 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.24 -172.46 35.93 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.337 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.91 160.65 38.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -150.12 105.6 3.39 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -96.63 0.35 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -126.06 0.29 7.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.238 0.615 . . . . 0.0 110.641 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.74 160.09 32.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.25 119.68 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -80.86 119.38 23.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.41 120.07 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.39 149.51 19.36 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.5 mt -136.33 144.83 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -135.27 104.24 5.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.19 154.4 53.98 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.022 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.93 151.83 62.74 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.293 2.662 . . . . 0.0 110.321 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.539 ' HZ3' ' HB3' ' C' ' 38' ' ' LYS . 4.6 mmmp? -65.31 -2.71 3.3 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 122.21 -0.306 . . . . 0.0 110.636 175.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.42 -11.72 58.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.316 1.047 . . . . 0.0 110.684 173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.17 160.79 32.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 123.766 0.826 . . . . 0.0 109.862 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.18 16.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 134.59 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -157.21 171.1 21.04 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.28 0.232 . . . . 0.0 111.175 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -72.53 158.72 35.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.67 -23.32 67.22 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.037 0.381 . . . . 0.0 110.63 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.63 -3.73 58.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.24 0.616 . . . . 0.0 112.399 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -117.79 -34.59 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 123.907 0.883 . . . . 0.0 110.031 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.23 -37.84 70.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.014 -0.429 . . . . 0.0 110.885 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -64.97 -21.39 66.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.451 -0.155 . . . . 0.0 110.973 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -85.38 -32.22 22.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.436 0.294 . . . . 0.0 111.453 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.771 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.428 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.742 -0.096 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 112.0 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.31 143.85 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.82 134.41 28.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -90.3 148.29 22.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -150.71 138.6 19.96 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.265 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.4 tptm -86.55 150.26 24.37 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.7 m -57.55 134.15 22.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.531 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.96 55.02 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.371 -0.683 . . . . 0.0 112.953 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -114.81 -176.14 2.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.356 1.078 . . . . 0.0 110.856 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -139.61 169.52 17.59 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -144.75 165.62 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.149 1.779 . . . . 0.0 107.413 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.04 153.9 49.32 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.797 0.726 . . . . 0.0 112.539 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.34 143.32 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -141.71 32.2 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.18 13.14 5.64 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.441 0.696 . . . . 0.0 109.981 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -138.27 6.65 2.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.625 0.77 . . . . 0.0 111.86 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.87 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 CA-C-N 118.82 0.736 . . . . 0.0 110.417 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -138.55 154.99 48.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -134.99 148.99 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -140.11 150.04 43.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.23 90.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -65.57 -34.29 77.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.337 -173.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.21 -173.57 37.66 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.088 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.46 161.55 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 C-N-CA 122.773 0.429 . . . . 0.0 110.693 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -150.55 106.99 3.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.36 -102.91 0.79 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 4.8 mm-40 -120.34 0.43 10.58 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.078 0.551 . . . . 0.0 110.511 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 26.7 mt-30 -73.83 154.49 39.47 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.49 119.56 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -80.95 120.63 25.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 mt -120.37 140.68 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.17 18.01 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -137.17 145.23 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.27 104.57 5.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.07 155.68 55.0 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 123.767 0.827 . . . . 0.0 109.599 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.45 151.22 65.02 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.063 2.508 . . . . 0.0 110.317 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.84 -1.86 2.22 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.83 -10.88 59.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.006 0.923 . . . . 0.0 110.911 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.44 160.4 31.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.632 0.773 . . . . 0.0 109.513 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.62 156.76 16.9 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -153.79 134.39 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -157.42 164.89 37.01 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpt85 -66.69 152.11 46.06 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.95 -23.55 65.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.333 0.515 . . . . 0.0 112.244 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.5 -11.55 55.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.421 0.555 . . . . 0.0 111.849 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 mm -104.19 -35.14 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.814 0.845 . . . . 0.0 109.848 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -57.16 -40.78 77.96 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.555 -0.716 . . . . 0.0 110.861 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.72 -20.55 65.82 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.335 -0.228 . . . . 0.0 110.963 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -84.0 -37.92 21.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.322 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.53 0.211 0 CA-C-N 118.646 0.657 . . . . 0.0 109.288 176.013 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.18 109.64 11.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 144.41 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -142.74 135.08 27.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.7 p -92.47 149.77 21.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.426 HH21 ' HB ' ' C' ' 22' ' ' ILE . 21.5 ttp180 -148.68 164.18 35.11 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.465 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.9 tptm -121.63 149.07 43.72 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 m -53.33 129.48 14.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.927 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.07 2.45 36.15 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.992 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -116.89 -171.32 2.0 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.78 1.29 . . . . 0.0 112.444 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -148.85 171.2 16.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.419 HG13 ' HD3' ' C' ' 6' ' ' ARG . 41.5 mt -145.0 165.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.053 2.141 . . . . 0.0 107.08 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -130.58 153.55 48.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.691 -0.63 . . . . 0.0 111.512 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -144.01 140.65 25.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -138.04 43.63 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -130.94 10.58 5.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.48 0.712 . . . . 0.0 109.515 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.55 8.5 2.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.336 0.654 . . . . 0.0 112.141 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.62 144.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.784 0.72 . . . . 0.0 110.087 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -140.11 153.9 46.85 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -132.46 149.41 32.21 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -140.56 153.86 46.28 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 122.687 0.395 . . . . 0.0 110.064 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.426 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -111.69 92.22 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -30.11 70.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.19 -170.73 35.0 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.664 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.08 162.43 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 CA-C-O 121.054 0.454 . . . . 0.0 110.177 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -147.31 80.77 1.52 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.58 -117.43 5.2 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -171.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.02 -1.89 38.63 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 117.043 0.422 . . . . 0.0 110.017 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.407 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.1 mt-30 -80.43 155.82 26.92 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -142.93 118.66 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -78.42 117.79 19.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -117.1 138.76 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.41 149.86 18.56 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.7 mt -135.85 144.94 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -135.57 102.45 5.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.39 153.74 52.32 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.369 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.42 152.15 65.72 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.899 2.399 . . . . 0.0 110.14 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.4 -2.7 3.42 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.61 -11.72 58.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.949 0.9 . . . . 0.0 110.892 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.05 160.28 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.611 0.764 . . . . 0.0 109.327 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.73 156.74 17.16 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.32 131.68 2.74 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -157.26 164.74 37.36 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 122.792 0.437 . . . . 0.0 110.691 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -72.8 165.39 24.95 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.01 -33.41 70.69 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.12 -53.52 48.21 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 121.701 -0.624 . . . . 0.0 111.003 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.22 -31.63 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.811 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -55.31 -40.74 71.47 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.014 0.37 . . . . 0.0 111.143 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.54 -20.82 66.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.285 -0.259 . . . . 0.0 111.28 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -85.82 -33.23 21.4 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.327 0.251 . . . . 0.0 111.655 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.114 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.31 110.27 12.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.54 147.1 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -140.96 155.18 46.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.95 141.52 48.59 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.45 165.05 34.35 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.585 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.9 tptm -108.93 150.84 27.12 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 m -54.54 126.62 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 118.064 0.393 . . . . 0.0 110.347 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.39 -6.98 24.74 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.074 -0.848 . . . . 0.0 113.274 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -101.89 -179.06 3.89 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.755 1.278 . . . . 0.0 112.522 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -138.5 166.64 23.77 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mt -143.3 165.64 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.422 1.889 . . . . 0.0 107.884 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -134.63 153.47 51.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.394 0.678 . . . . 0.0 112.156 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -143.15 143.17 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.51 -138.94 42.97 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.18 10.62 5.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.095 0.558 . . . . 0.0 109.799 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.63 8.95 2.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.334 0.654 . . . . 0.0 111.9 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.58 145.75 35.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 119.108 0.867 . . . . 0.0 110.53 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.4 m -138.17 155.48 48.66 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -134.2 149.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.4 m -139.74 153.27 47.15 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.756 0.423 . . . . 0.0 110.157 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -112.97 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.83 -30.35 71.45 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.931 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.41 -170.43 34.53 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.693 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -132.93 161.58 41.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -150.07 98.15 2.66 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.67 -113.91 6.03 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -106.0 0.03 25.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.12 0.46 . . . . 0.0 110.329 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -78.05 160.5 28.08 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 109.635 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.1 t -141.95 117.37 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -79.18 108.92 13.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -105.17 146.02 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.68 148.85 16.83 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.8 mt -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -136.78 101.91 4.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 155.73 60.35 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.326 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.13 153.0 51.52 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.176 2.584 . . . . 0.0 110.067 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HB3' ' HZ1' ' A' ' 38' ' ' LYS . 4.2 mmmp? -65.96 -4.23 6.67 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.32 -0.237 . . . . 0.0 110.863 176.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.94 -9.2 43.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.067 0.947 . . . . 0.0 110.982 171.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -138.67 160.62 30.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 123.564 0.746 . . . . 0.0 109.901 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.32 156.73 17.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.002 0.43 . . . . 0.0 111.793 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.03 135.61 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -157.61 169.22 25.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.823 0.449 . . . . 0.0 111.256 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm-85 -70.92 163.7 26.92 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -65.43 -23.83 67.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.995 -0.441 . . . . 0.0 111.296 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.2 -48.66 41.42 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 121.318 0.58 . . . . 0.0 109.991 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.2 mm -76.27 -33.67 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.008 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -56.2 -41.34 75.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.483 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 122.361 -0.212 . . . . 0.0 111.056 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -80.57 -38.86 28.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.222 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.053 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.842 -0.059 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 105.08 8.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 173.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -78.96 145.2 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.33 134.27 25.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.0 p -94.55 143.32 26.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -147.45 135.48 21.34 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.24 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 3.8 tptm -83.75 149.04 26.7 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -56.49 132.08 20.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.28 0.85 44.24 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.69 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -115.51 -175.75 2.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.545 1.172 . . . . 0.0 111.039 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -141.25 169.3 17.86 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.38 165.93 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 126.514 1.926 . . . . 0.0 107.41 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -138.59 154.23 48.7 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.403 -0.811 . . . . 0.0 112.906 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -141.31 143.04 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.29 -141.03 31.3 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -130.03 11.22 5.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.553 0.741 . . . . 0.0 110.221 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -136.78 8.28 3.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.594 0.757 . . . . 0.0 111.733 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 146.59 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 CA-C-N 118.951 0.796 . . . . 0.0 110.865 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.22 154.96 49.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.51 148.93 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.8 m -141.23 149.29 41.18 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -111.15 91.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.52 -32.46 73.82 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.229 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.97 -171.73 36.35 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.739 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.34 162.14 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -146.78 81.81 1.56 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.09 -115.09 4.37 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -171.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -100.9 -2.39 32.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.435 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.5 mt-30 -78.08 154.62 31.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.37 123.4 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -85.24 120.81 27.14 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 170.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -121.91 140.88 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.71 150.16 18.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 1' ' ' MET . 73.7 mt -136.6 145.12 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -136.72 105.39 5.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.52 155.36 60.55 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.88 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.52 150.08 74.95 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.533 2.155 . . . . 0.0 109.79 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -65.53 -1.83 2.91 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.325 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.31 -12.09 60.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.176 0.991 . . . . 0.0 110.961 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.58 160.65 34.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.564 0.746 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.08 157.1 16.58 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 111.622 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.5 129.32 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -157.21 163.14 39.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 122.745 0.418 . . . . 0.0 110.338 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -73.38 163.06 28.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 172.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.47 -38.98 78.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.53 -11.3 60.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -102.66 -32.87 3.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -55.46 -42.83 74.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.912 0.324 . . . . 0.0 111.073 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.82 -20.79 66.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 121.452 -0.099 . . . . 0.0 111.057 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.2 -37.4 23.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.059 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 118.837 0.744 . . . . 0.0 109.174 176.393 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 50.3 tpp . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 119.865 -0.112 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.75 112.97 13.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.55 143.9 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.165 0.586 . . . . 0.0 109.691 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.61 134.84 27.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 p -95.59 144.26 26.19 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.401 ' HD2' ' CD1' ' A' ' 12' ' ' ILE . 4.1 mmp_? -146.15 135.22 22.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.093 0.557 . . . . 0.0 110.341 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.3 tptm -80.39 155.59 27.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 170.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 m -57.87 140.26 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.221 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.15 -15.07 61.94 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.544 0.592 . . . . 0.0 112.323 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.63 -178.63 7.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.893 0.846 . . . . 0.0 111.032 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.3 m -142.65 166.49 24.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.401 ' CD1' ' HD2' ' A' ' 6' ' ' ARG . 27.8 mm -142.69 165.06 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.384 1.873 . . . . 0.0 107.303 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.29 153.68 46.55 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 118.604 0.638 . . . . 0.0 111.926 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -142.88 144.92 23.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.08 36.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -130.22 11.14 5.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.392 0.677 . . . . 0.0 109.685 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -139.07 8.97 2.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -131.48 145.4 35.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 119.07 0.85 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -138.48 154.48 48.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -135.71 148.92 27.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.7 m -144.24 125.89 15.07 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.33 93.27 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -64.72 -34.6 78.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.924 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.61 -171.36 36.75 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.669 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.38 160.73 42.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 122.723 0.409 . . . . 0.0 110.306 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -148.66 98.45 2.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.65 -96.47 0.36 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -172.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.2 mp0 -121.57 -2.77 9.37 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.381 0.673 . . . . 0.0 110.602 177.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -76.86 158.37 30.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -143.12 118.55 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -81.31 123.36 28.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.43 128.11 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.03 149.83 16.89 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.1 mt -135.98 144.97 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -135.68 103.44 5.43 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.69 155.07 56.55 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.99 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.57 151.39 70.13 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.088 2.526 . . . . 0.0 109.597 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -66.86 -1.34 3.84 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.214 -0.304 . . . . 0.0 110.298 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.07 -11.72 59.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.116 0.966 . . . . 0.0 110.994 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.47 161.07 31.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.937 0.895 . . . . 0.0 109.531 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.12 157.47 16.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.644 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.95 132.12 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -157.47 165.77 34.76 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -63.5 156.32 26.67 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 168.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.38 -23.71 67.04 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 122.117 -0.364 . . . . 0.0 110.909 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.06 -8.72 58.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.92 -34.19 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.443 0.697 . . . . 0.0 109.72 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -57.38 -37.65 72.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.823 0.283 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -65.42 -21.79 66.7 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.43 -36.9 23.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.361 0.264 . . . . 0.0 111.175 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -129.13 112.78 14.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.04 143.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.53 134.76 31.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -86.01 156.53 20.4 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.424 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.1 ttp180 -150.49 161.88 41.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.401 ' HE2' ' CB ' ' A' ' 28' ' ' GLN . 12.9 tptm -124.59 148.01 48.12 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.24 122.88 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 118.736 0.698 . . . . 0.0 109.928 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.73 0.38 23.06 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.402 -0.666 . . . . 0.0 113.123 -178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -110.94 -169.37 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.285 1.042 . . . . 0.0 111.773 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -152.28 169.92 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.148 0.979 . . . . 0.0 111.609 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.424 HG13 ' HD3' ' C' ' 6' ' ' ARG . 52.5 mt -144.74 164.94 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.026 1.73 . . . . 0.0 107.561 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -133.59 153.31 51.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.1 0.476 . . . . 0.0 111.675 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -144.71 143.57 22.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.95 43.6 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -129.92 10.65 5.51 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.522 0.729 . . . . 0.0 109.907 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.68 9.17 1.98 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.21 0.604 . . . . 0.0 112.42 -175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.48 145.11 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.942 0.792 . . . . 0.0 111.198 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -139.15 153.68 47.98 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 108.095 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -132.98 149.72 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -139.35 153.58 47.71 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.477 0.311 . . . . 0.0 110.302 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -112.06 93.11 2.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 C-N-CA 123.611 0.764 . . . . 0.0 109.146 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.43 -31.95 73.02 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.594 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -171.07 34.2 Favored Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.54 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.66 161.73 39.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 CA-C-N 116.924 0.362 . . . . 0.0 110.492 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.6 m -149.78 106.0 3.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -96.9 0.33 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 9.2 mm-40 -125.65 -0.74 7.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.062 0.545 . . . . 0.0 110.669 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.42 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 26.2 mt-30 -73.33 154.84 39.94 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 172.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.75 117.39 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -80.62 116.04 20.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 171.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -114.13 140.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 149.84 18.68 Favored Glycine 0 C--N 1.331 0.286 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 75.7 mt -135.6 145.36 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -135.41 102.61 5.2 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.13 53.61 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.047 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.32 152.56 55.51 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.059 2.506 . . . . 0.0 110.482 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.96 -5.33 5.94 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 122.291 -0.255 . . . . 0.0 110.43 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.71 -9.08 40.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.066 0.946 . . . . 0.0 111.259 172.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.1 160.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.522 0.729 . . . . 0.0 109.743 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.07 156.19 17.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.51 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.39 134.88 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -157.28 169.87 23.76 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 122.997 0.519 . . . . 0.0 110.584 -176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.471 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.3 ptp85 -79.39 165.8 22.72 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.26 -24.04 66.1 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.0 tp10 -72.17 -51.06 23.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.628 0.649 . . . . 0.0 110.606 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.44 -31.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.888 -172.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.56 -41.6 77.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.178 0.444 . . . . 0.0 110.613 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.42 -21.05 66.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.981 -0.1 . . . . 0.0 111.058 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.15 -37.6 20.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 118.541 0.61 . . . . 0.0 109.45 176.41 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 110.79 13.39 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.4 145.92 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.145 0 C-N-CA 123.32 0.648 . . . . 0.0 109.53 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -141.37 157.49 45.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -120.58 138.21 54.0 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -144.53 134.6 24.04 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.796 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -79.43 156.06 28.05 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.28 131.35 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.356 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 -14.52 42.35 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.616 -0.546 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -87.43 -179.72 6.42 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.346 1.073 . . . . 0.0 110.735 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -142.49 167.18 22.71 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -142.71 165.03 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.496 1.918 . . . . 0.0 107.508 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -139.14 153.69 47.99 Favored 'General case' 0 C--N 1.338 0.083 0 O-C-N 121.677 -0.639 . . . . 0.0 112.159 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.77 144.02 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.83 -141.63 32.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.0 12.22 5.65 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.506 0.722 . . . . 0.0 110.133 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -137.92 7.48 2.71 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.855 0.862 . . . . 0.0 111.773 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.83 146.06 34.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.127 0.876 . . . . 0.0 110.914 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -139.04 156.68 47.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.77 147.96 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.6 m -143.65 127.06 16.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -79.73 95.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.2 mt -69.18 -30.44 68.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.961 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.26 -172.07 35.87 Favored Glycine 0 C--N 1.34 0.775 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.652 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -133.65 163.07 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.025 0.441 . . . . 0.0 110.372 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -146.69 79.38 1.52 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.57 -114.24 4.05 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 107.878 -2.089 . . . . 0.0 107.878 -172.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -100.82 -2.35 32.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.971 0.385 . . . . 0.0 110.297 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.441 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 25.8 mt-30 -78.71 153.3 31.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -141.85 118.98 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -77.92 118.5 20.28 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -120.85 121.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.4 149.14 19.23 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -133.34 144.99 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -137.75 102.95 4.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.75 57.95 Favored Pre-proline 0 N--CA 1.449 -0.478 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.14 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.03 151.49 67.54 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.922 2.415 . . . . 0.0 109.839 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -66.6 -1.41 3.67 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.546 0.212 . . . . 0.0 110.538 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.92 -10.63 58.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 110.824 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.92 160.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.877 0.871 . . . . 0.0 109.603 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.27 157.35 16.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.856 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.05 133.19 3.9 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -157.09 167.61 29.91 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.68 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -70.65 162.1 29.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -67.22 -23.59 65.74 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.347 -0.221 . . . . 0.0 110.665 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.67 -5.78 59.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 111.96 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -116.94 -33.35 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 123.93 0.892 . . . . 0.0 110.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.43 -37.1 69.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 117.756 0.253 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.99 -21.21 66.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.505 -0.122 . . . . 0.0 111.132 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -87.16 -35.97 18.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.552 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.295 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.35 103.22 7.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.32 146.08 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.56 158.56 43.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.3 p -121.84 145.0 48.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.48 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 1.6 tpt180 -147.68 155.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.289 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.441 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 7.4 tptm -98.44 150.63 21.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.09 132.23 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 118.417 0.553 . . . . 0.0 110.291 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.42 35.86 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.645 -0.53 . . . . 0.0 112.551 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . 0.48 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 50.9 mm-40 -106.46 -176.66 3.14 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.125 0.963 . . . . 0.0 111.537 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -139.35 169.9 16.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -146.56 165.82 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.121 1.768 . . . . 0.0 107.211 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -135.64 153.43 51.63 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 119.043 0.838 . . . . 0.0 112.662 -174.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -144.65 144.0 22.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 108.68 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -141.19 38.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.71 10.63 6.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.36 0.664 . . . . 0.0 109.903 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.19 9.38 1.88 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.423 0.689 . . . . 0.0 111.918 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.95 146.5 33.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 CA-C-N 118.777 0.717 . . . . 0.0 110.752 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -140.34 155.33 46.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.62 149.54 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.4 m -142.21 121.1 12.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -77.46 91.46 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.4 mt -67.54 -32.01 72.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.54 -169.54 35.63 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.68 165.88 28.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 122.51 0.324 . . . . 0.0 110.631 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -151.4 102.84 2.94 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.14 -95.93 0.3 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -172.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -124.46 1.6 8.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.406 0.683 . . . . 0.0 110.577 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.64 160.78 32.06 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -140.6 119.66 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -80.12 119.89 23.53 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -120.82 121.19 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.91 150.16 19.61 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -136.3 144.75 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -135.04 104.19 5.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.54 155.01 53.28 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.4 152.49 60.69 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.116 2.544 . . . . 0.0 110.471 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.552 ' HZ2' ' HB3' ' C' ' 38' ' ' LYS . 4.5 mmmp? -66.21 -2.18 4.03 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 122.38 -0.2 . . . . 0.0 110.667 175.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.82 -11.47 58.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.917 0.887 . . . . 0.0 110.653 172.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.41 160.93 31.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 109.868 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.64 157.43 16.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 122.395 0.278 . . . . 0.0 111.601 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.99 134.02 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -156.5 169.59 24.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.718 0.407 . . . . 0.0 111.484 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -71.94 158.78 35.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.66 -23.28 67.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.912 -0.492 . . . . 0.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 -2.15 57.82 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.734 0.813 . . . . 0.0 111.967 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.07 -35.52 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 C-N-CA 123.776 0.83 . . . . 0.0 109.618 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.26 -38.08 68.08 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.088 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -65.23 -20.73 66.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.331 -0.23 . . . . 0.0 111.164 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.02 -31.74 20.39 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.958 0.503 . . . . 0.0 111.377 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.69 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 107.24 10.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 173.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.43 147.24 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -140.03 159.85 41.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -120.05 140.99 50.17 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -144.29 164.16 31.57 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -113.38 155.94 24.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.06 113.43 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.104 0.478 . . . . 0.0 110.555 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.1 -14.59 8.92 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.923 0.773 . . . . 0.0 112.656 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -85.52 -175.23 5.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 117.753 0.777 . . . . 0.0 111.867 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -145.58 167.52 22.85 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.9 165.79 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 126.549 1.939 . . . . 0.0 107.646 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.46 153.93 50.01 Favored 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 118.858 0.753 . . . . 0.0 112.338 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -142.56 144.94 23.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 123.926 0.89 . . . . 0.0 108.722 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.62 -140.63 37.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.32 11.26 5.39 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 109.529 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -139.65 8.4 2.37 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.577 0.751 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.139 0.881 . . . . 0.0 110.649 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -137.8 155.35 49.11 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.25 148.98 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -139.49 149.78 44.38 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.44 88.56 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.67 -31.34 72.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.193 0.597 . . . . 0.0 111.753 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -168.13 34.31 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.857 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.93 160.42 35.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -147.78 79.56 1.48 Allowed 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.71 -118.11 4.92 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.844 -2.102 . . . . 0.0 107.844 -171.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.17 0.54 43.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -80.94 160.61 24.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.7 t -140.46 118.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -77.62 115.26 17.23 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -113.74 143.57 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 151.46 17.12 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.49 144.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -136.3 103.42 5.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.3 155.86 57.67 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.178 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.75 151.66 57.82 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.718 2.279 . . . . 0.0 110.176 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.33 -4.0 4.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.402 -0.186 . . . . 0.0 110.555 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.89 -8.02 40.21 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.397 1.079 . . . . 0.0 110.933 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.13 160.56 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 123.521 0.729 . . . . 0.0 109.415 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.52 156.98 17.25 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 111.455 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.42 133.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -157.02 167.2 31.18 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.915 0.486 . . . . 0.0 110.882 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.77 159.24 33.92 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.565 . . . . 0.0 111.177 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.13 -3.64 58.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.54 0.736 . . . . 0.0 111.87 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -116.91 -34.27 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 C-N-CA 123.714 0.806 . . . . 0.0 109.692 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -55.96 -38.13 69.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 117.954 0.343 . . . . 0.0 111.394 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -65.08 -20.79 66.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.221 0.082 . . . . 0.0 111.221 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.56 -35.53 19.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.54 0.336 . . . . 0.0 111.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.735 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 107.53 11.71 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 145.6 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.384 0.674 . . . . 0.0 109.596 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -143.16 134.84 26.53 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -93.9 144.44 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.623 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.8 OUTLIER -147.34 129.19 15.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.452 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -75.74 146.58 39.96 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 174.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.16 126.13 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.75 -3.02 27.47 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.461 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -111.6 -178.31 3.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.573 1.187 . . . . 0.0 110.98 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -136.56 169.9 16.94 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -143.58 165.94 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.783 2.033 . . . . 0.0 107.164 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -138.08 153.79 49.28 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.333 -0.854 . . . . 0.0 112.226 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -142.42 145.03 24.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 124.111 0.964 . . . . 0.0 108.815 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.39 -140.2 43.29 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -129.88 10.34 5.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.627 0.771 . . . . 0.0 109.444 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -142.58 9.15 1.78 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.742 0.817 . . . . 0.0 112.308 -175.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.37 147.39 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.033 0.833 . . . . 0.0 110.88 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -137.65 154.74 49.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -134.87 148.65 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -144.47 135.88 25.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.05 0.452 . . . . 0.0 110.087 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -89.52 92.92 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.97 -31.77 72.88 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -167.78 34.08 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.357 -0.449 . . . . 0.0 112.361 173.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.36 164.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.56 64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -113.04 3.56 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -92.27 -6.97 49.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -76.96 156.11 32.2 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.335 0.588 . . . . 0.0 110.139 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -137.26 121.51 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.433 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -83.19 118.93 23.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 171.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -119.57 135.65 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.72 152.05 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -135.8 145.24 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -134.84 104.91 6.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.36 155.31 49.96 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 123.897 0.879 . . . . 0.0 109.19 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.33 152.59 61.17 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.66 2.24 . . . . 0.0 110.324 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -66.09 -2.19 3.9 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.924 -0.485 . . . . 0.0 110.371 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.18 -11.6 59.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.891 0.876 . . . . 0.0 110.868 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.43 160.55 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.825 0.85 . . . . 0.0 109.286 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.61 155.56 17.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.973 0.416 . . . . 0.0 111.542 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.91 133.61 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -155.69 165.86 35.25 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 121.044 0.449 . . . . 0.0 111.634 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -68.75 154.48 41.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.37 -23.78 66.01 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.528 0.604 . . . . 0.0 112.076 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.83 -36.58 70.25 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 110.358 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -91.83 -32.12 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.93 -170.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.9 -40.33 72.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 117.916 0.325 . . . . 0.0 110.495 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.8 -20.85 66.61 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.413 -0.18 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.42 -36.87 17.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 119.07 -0.49 . . . . 0.0 111.749 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.534 0.344 0 CA-C-N 118.759 0.709 . . . . 0.0 109.606 176.796 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.76 109.26 11.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.58 144.87 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.91 134.93 27.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.0 p -91.38 145.63 24.47 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -146.52 127.37 14.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -79.88 148.74 31.19 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 m -57.86 129.99 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.95 43.02 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.755 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -112.25 -176.92 3.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.395 1.097 . . . . 0.0 111.048 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -141.46 169.84 16.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -145.1 165.54 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.355 1.862 . . . . 0.0 107.418 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.22 153.56 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.485 -0.76 . . . . 0.0 112.427 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -142.66 142.6 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.72 -140.3 38.03 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.364 -1.095 . . . . 0.0 110.364 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.34 10.69 5.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.47 0.708 . . . . 0.0 109.548 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -139.87 9.1 2.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.972 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.12 146.05 34.46 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 118.77 0.714 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -138.92 154.23 48.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.81 149.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 83.3 m -141.93 150.93 42.12 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -111.6 97.32 5.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.99 -33.68 74.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.11 -175.46 36.9 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.787 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.29 161.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.342 0.269 0 CA-C-N 117.154 0.477 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 m -153.09 107.13 3.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.41 -104.76 1.04 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -116.77 -3.59 11.7 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.583 0.753 . . . . 0.0 109.987 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.449 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 26.6 mt-30 -73.84 152.89 40.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 173.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -144.81 120.37 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -82.1 122.95 28.5 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 170.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.11 140.64 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.76 147.73 18.91 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' C' ' 1' ' ' MET . 69.2 mt -135.57 144.86 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -135.42 103.0 5.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.78 155.23 56.18 Favored Pre-proline 0 N--CA 1.449 -0.476 0 C-N-CA 123.604 0.762 . . . . 0.0 109.331 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.7 152.5 58.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.082 2.521 . . . . 0.0 110.231 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.539 ' HB3' ' HZ1' ' A' ' 38' ' ' LYS . 4.4 mmmp? -65.61 -2.15 3.26 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.446 -0.159 . . . . 0.0 110.728 175.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.61 -11.45 60.06 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.988 0.915 . . . . 0.0 110.651 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.29 160.9 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.691 0.796 . . . . 0.0 109.286 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.7 157.23 17.33 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.3 131.24 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -159.1 165.59 33.49 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 122.774 0.429 . . . . 0.0 111.687 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -67.37 159.67 28.93 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 168.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.53 -33.82 73.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.63 0.372 . . . . 0.0 111.337 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 -14.26 60.08 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -102.34 -33.95 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 123.133 0.573 . . . . 0.0 109.697 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -55.32 -39.22 69.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.398 -0.189 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.28 -21.71 66.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.622 0.192 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.39 -35.7 24.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.164 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 175.792 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 47.7 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 119.867 -0.111 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.6 112.5 15.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -87.71 144.86 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.37 133.73 29.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 170.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -87.61 148.14 24.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 172.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -148.08 155.93 42.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.449 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.3 tptm -109.81 144.14 38.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . 0.432 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.4 t -53.25 113.34 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.28 6.52 8.88 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.789 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -121.73 -168.04 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.437 1.119 . . . . 0.0 111.54 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 53.7 m -152.81 168.51 25.51 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.444 0.698 . . . . 0.0 111.691 -170.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -145.36 165.25 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.449 1.9 . . . . 0.0 107.706 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.85 153.34 52.08 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.885 0.474 . . . . 0.0 111.263 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -143.6 143.94 23.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.98 -138.25 45.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -130.34 10.06 5.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.538 0.735 . . . . 0.0 110.041 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.61 9.75 2.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.079 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.28 34.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 119.152 0.887 . . . . 0.0 110.922 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -138.51 153.69 48.76 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -133.61 149.61 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -138.28 154.71 49.03 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 tp -115.31 90.06 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.576 0.75 . . . . 0.0 109.048 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.0 -23.99 63.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.973 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 153.93 -173.45 32.56 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.284 177.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.57 159.68 42.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -147.18 83.58 1.57 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.4 -118.21 5.21 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 107.547 -2.221 . . . . 0.0 107.547 -171.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.81 0.45 41.59 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.01 160.48 27.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 109.573 172.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.43 119.01 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -80.23 116.01 20.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -116.19 142.0 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.7 149.65 18.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.86 145.4 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.43 102.62 5.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.28 154.93 57.91 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.71 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.44 152.13 65.59 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 122.758 2.305 . . . . 0.0 109.76 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.65 -2.82 3.87 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 122.413 -0.179 . . . . 0.0 110.536 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.18 -11.33 59.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.067 0.947 . . . . 0.0 110.896 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.47 160.83 31.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.442 0.697 . . . . 0.0 109.224 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.17 155.36 18.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 111.682 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.35 132.02 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -156.89 167.41 30.55 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -69.74 163.15 26.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -65.5 -24.15 67.07 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.298 -0.251 . . . . 0.0 111.276 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.8 -48.55 30.65 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.496 0.665 . . . . 0.0 110.021 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.4 -33.18 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.129 -173.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.21 -42.92 77.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.0 -0.437 . . . . 0.0 110.883 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.82 -20.76 66.36 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.464 -0.148 . . . . 0.0 110.774 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.61 -37.22 23.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.834 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.44 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.439 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.9 tpp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.33 109.64 11.99 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.96 146.19 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -139.52 162.69 34.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -125.0 139.5 53.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -143.45 139.03 29.7 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.458 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -81.34 152.7 27.39 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.78 130.48 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 118.731 -1.187 . . . . 0.0 110.34 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.94 -14.76 37.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.875 0.75 . . . . 0.0 112.199 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -84.51 179.5 7.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.96 0.88 . . . . 0.0 111.167 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 m -140.49 167.17 22.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -142.54 165.23 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.994 1.718 . . . . 0.0 107.189 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -137.77 153.38 49.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.701 -0.624 . . . . 0.0 112.175 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -144.39 142.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.082 0.953 . . . . 0.0 108.517 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.64 -140.08 41.33 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -129.77 10.78 5.59 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.521 0.728 . . . . 0.0 109.748 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -141.25 8.7 2.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.304 0.641 . . . . 0.0 111.91 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 146.3 34.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.852 0.751 . . . . 0.0 110.379 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -139.99 156.39 46.65 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.371 1.068 . . . . 0.0 108.136 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.5 mm -135.97 148.6 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -143.86 125.04 14.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.11 95.58 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.1 -32.06 72.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.129 -0.357 . . . . 0.0 111.094 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -171.57 35.07 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.629 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.19 162.59 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.867 0.467 . . . . 0.0 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -153.21 92.45 1.62 Allowed 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 -119.45 6.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -170.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.74 -0.21 34.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.849 0.325 . . . . 0.0 110.53 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 24.8 mt-30 -79.76 154.91 28.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.29 122.56 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -83.2 122.23 28.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.42 124.18 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 149.21 18.78 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.3 mt -133.59 145.43 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.03 103.42 5.35 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.35 152.87 51.24 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.709 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -67.59 151.51 79.39 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.656 2.238 . . . . 0.0 108.99 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -6.09 5.96 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.71 -10.4 36.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.741 1.216 . . . . 0.0 111.553 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m -137.13 159.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.45 154.36 17.31 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -153.45 131.09 2.33 Favored 'Isoleucine or valine' 0 C--N 1.337 0.058 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -155.81 166.18 34.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.586 0.231 . . . . 0.0 111.303 -175.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -69.25 162.14 27.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.34 -28.97 69.66 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.209 -0.307 . . . . 0.0 110.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.09 -6.14 57.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.691 0.797 . . . . 0.0 112.626 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -116.41 -33.54 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 C-N-CA 124.06 0.944 . . . . 0.0 109.925 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.07 -36.13 67.73 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 117.887 0.312 . . . . 0.0 111.342 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.13 -21.55 66.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 122.352 -0.218 . . . . 0.0 111.041 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.75 -36.27 18.72 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 122.607 0.363 . . . . 0.0 111.554 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.315 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.585 -0.245 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.01 104.4 8.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.96 146.43 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.55 155.19 46.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.8 p -116.8 145.06 43.77 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.8 mmp_? -143.6 164.66 29.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 10.8 tptm -113.82 151.79 31.58 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -56.26 119.74 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.096 0.862 . . . . 0.0 110.042 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.37 4.96 21.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.016 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -113.37 -178.77 3.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.536 1.168 . . . . 0.0 110.988 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -143.87 167.44 22.32 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -142.77 165.19 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.3 1.84 . . . . 0.0 107.52 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -134.65 153.5 51.95 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 121.802 -0.561 . . . . 0.0 111.211 -176.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.44 141.78 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -139.37 41.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.23 10.88 5.39 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.579 0.752 . . . . 0.0 109.415 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.41 9.28 2.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.292 0.637 . . . . 0.0 112.054 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.25 146.28 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 118.951 0.796 . . . . 0.0 110.576 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.7 m -140.64 155.67 46.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -133.66 149.24 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 74.6 m -144.57 126.89 15.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.57 96.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.26 -33.13 71.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.307 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.07 -172.43 36.56 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.272 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.93 161.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 122.576 0.35 . . . . 0.0 110.256 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 p -153.73 114.64 4.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.99 -99.29 0.3 Allowed Glycine 0 C--N 1.334 0.421 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -125.96 1.02 7.3 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.26 0.624 . . . . 0.0 110.605 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -74.16 160.29 31.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.65 120.22 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -79.93 121.52 25.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.0 125.73 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.64 150.18 19.29 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 108.646 -1.782 . . . . 0.0 108.646 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.8 mt -135.61 145.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -134.97 105.35 6.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.79 155.31 48.26 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 123.837 0.855 . . . . 0.0 108.999 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.71 152.66 59.06 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.008 2.472 . . . . 0.0 110.277 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.89 -5.21 8.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.983 -0.448 . . . . 0.0 110.372 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -9.28 44.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.106 0.963 . . . . 0.0 111.082 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 161.33 28.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.637 0.775 . . . . 0.0 109.006 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.51 156.35 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.15 -0.344 . . . . 0.0 111.515 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.14 132.04 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -157.88 164.71 36.65 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.577 0.351 . . . . 0.0 110.413 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 4.9 ptp85 -72.7 163.64 27.77 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 171.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.45 -24.87 65.56 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.4 tp10 -70.85 -51.75 24.57 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.645 0.657 . . . . 0.0 110.605 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -74.4 -32.28 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.956 -171.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.3 -40.89 68.33 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.412 0.551 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.9 -20.69 65.96 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.0 -0.091 . . . . 0.0 111.103 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.1 -34.03 22.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 122.744 0.418 . . . . 0.0 111.822 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.812 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.9 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.901 -0.037 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.26 110.64 13.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.16 144.56 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.23 134.76 28.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -92.96 142.98 26.7 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -149.07 134.35 18.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -83.56 151.63 25.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.18 134.07 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.81 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.74 -0.62 52.37 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.286 -0.73 . . . . 0.0 112.965 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -109.18 -175.96 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.485 1.142 . . . . 0.0 110.489 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -140.88 169.57 17.38 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -171.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -143.89 165.68 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 126.441 1.896 . . . . 0.0 107.559 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -133.11 153.42 51.53 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.376 -0.828 . . . . 0.0 112.145 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -144.56 140.41 23.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.651 0.78 . . . . 0.0 109.016 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.3 -140.46 42.62 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -130.58 10.7 5.21 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.079 0.551 . . . . 0.0 109.869 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -140.09 9.21 2.32 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.412 0.685 . . . . 0.0 111.655 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.96 148.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.77 0.714 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -140.68 156.24 46.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.69 149.11 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -174.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.13 150.42 44.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.5 90.44 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.66 -31.04 71.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.445 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -171.74 35.5 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.964 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.94 160.44 42.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -146.37 81.15 1.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.99 -118.85 6.15 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -171.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -93.82 -4.55 49.96 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -80.91 149.66 29.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.9 124.71 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -85.41 120.98 27.48 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 170.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.46 141.59 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.92 150.78 18.46 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' C' ' 1' ' ' MET . 65.4 mt -135.85 145.3 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.21 103.7 5.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.13 155.67 54.75 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.109 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.21 152.96 51.03 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.279 2.652 . . . . 0.0 110.397 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HZ3' ' HB3' ' A' ' 38' ' ' LYS . 4.3 mmmp? -65.79 -4.42 6.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.246 -0.284 . . . . 0.0 110.686 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.23 -9.9 50.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.746 172.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -138.52 161.01 31.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.536 0.734 . . . . 0.0 109.474 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.72 156.17 18.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.56 133.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -157.35 165.9 34.54 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 112.066 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -64.91 157.04 29.11 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.81 -24.51 67.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.802 0.274 . . . . 0.0 111.392 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -72.05 -46.9 55.2 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.53 0.681 . . . . 0.0 110.026 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.12 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.841 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.4 -41.06 72.2 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.195 0.452 . . . . 0.0 110.959 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.92 -21.04 66.0 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.483 -0.135 . . . . 0.0 110.972 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -84.25 -34.06 23.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.807 0.443 . . . . 0.0 111.328 -176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.136 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 49.0 tpp . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 108.42 10.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.5 146.67 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.31 155.12 46.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -118.26 144.77 45.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.09 165.43 36.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -107.5 154.86 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -56.18 124.24 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 -3.46 24.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.632 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -104.18 -179.31 3.91 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.545 1.172 . . . . 0.0 112.179 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -138.76 165.65 26.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mt -144.12 165.86 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.383 1.873 . . . . 0.0 108.165 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.18 153.38 51.98 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 121.521 0.676 . . . . 0.0 112.221 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.11 144.39 23.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -138.85 40.23 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -129.93 10.62 5.5 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.337 0.655 . . . . 0.0 109.594 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.88 9.75 1.96 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.213 0.605 . . . . 0.0 111.938 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 146.66 33.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.218 0.917 . . . . 0.0 110.388 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.0 m -138.45 155.88 48.06 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.357 1.063 . . . . 0.0 108.303 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -133.32 149.15 31.06 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -176.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -139.96 151.89 45.89 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 6.1 tp -115.12 89.95 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.88 -32.33 73.78 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.47 -173.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.74 -170.24 35.23 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.91 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.11 164.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.026 0 C-N-CA 122.972 0.509 . . . . 0.0 110.163 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -152.94 102.64 2.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.14 -111.05 3.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.51 0.35 20.86 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.938 0.495 . . . . 0.0 111.046 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -80.01 156.78 27.0 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -143.1 120.79 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -80.59 119.22 22.94 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.83 141.57 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.44 149.93 18.51 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 1' ' ' MET . 69.5 mt -137.19 145.15 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -135.82 105.68 6.22 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.18 155.89 50.57 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.59 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.58 151.46 58.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.928 2.419 . . . . 0.0 110.144 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.467 ' HZ1' ' HB3' ' C' ' 38' ' ' LYS . 4.1 mmmp? -64.65 -2.43 2.43 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 122.16 -0.337 . . . . 0.0 110.642 175.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.83 -11.47 60.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.013 0.925 . . . . 0.0 110.7 173.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.24 160.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 C-N-CA 123.619 0.768 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 156.13 17.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 111.545 -175.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.83 133.85 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -158.06 172.95 17.49 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.373 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.28 160.25 32.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.47 -28.2 69.04 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.73 -9.7 59.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.916 0.886 . . . . 0.0 112.167 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.45 -34.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 C-N-CA 123.707 0.803 . . . . 0.0 109.957 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -54.71 -38.93 67.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.036 0.38 . . . . 0.0 111.411 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.86 -21.93 66.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.444 -0.16 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -87.01 -30.6 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.646 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.367 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 40.2 tpp . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 105.4 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.28 147.33 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -140.9 161.06 38.71 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -120.08 144.97 47.31 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -147.79 137.03 22.31 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.409 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -87.52 150.21 23.87 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.44 131.38 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.86 0.33 42.14 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.291 -0.727 . . . . 0.0 113.242 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -112.32 -176.66 2.97 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.537 1.169 . . . . 0.0 110.495 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -140.83 169.8 16.95 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.3 mt -143.99 165.07 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.242 1.817 . . . . 0.0 107.469 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -136.85 153.63 50.72 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.701 . . . . 0.0 112.36 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -141.91 144.1 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.312 1.045 . . . . 0.0 108.539 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.32 -140.27 40.1 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -130.25 10.73 5.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.483 0.713 . . . . 0.0 109.722 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.1 9.25 2.53 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.443 0.697 . . . . 0.0 111.902 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.95 146.21 34.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.08 0.854 . . . . 0.0 110.513 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -138.41 155.66 48.29 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.047 0.939 . . . . 0.0 108.469 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.72 147.36 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -143.9 120.9 11.37 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -76.61 93.84 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.44 -29.82 69.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.146 -0.346 . . . . 0.0 111.317 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.98 -170.17 34.8 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.678 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.72 164.43 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.87 96.48 2.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -115.8 7.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 108.368 -1.893 . . . . 0.0 108.368 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -103.93 0.98 30.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.116 0.458 . . . . 0.0 110.15 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -78.79 160.35 27.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -139.98 120.15 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -80.94 118.78 22.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -120.1 122.94 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.72 149.5 19.32 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.16 145.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -135.3 104.25 5.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.75 154.06 51.29 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.843 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.94 151.74 68.16 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.783 2.322 . . . . 0.0 110.256 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.28 -2.81 3.32 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.94 -11.96 59.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.23 1.012 . . . . 0.0 110.971 173.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -138.64 160.37 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.858 0.863 . . . . 0.0 109.556 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.66 157.07 16.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.946 0.403 . . . . 0.0 111.516 -175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.25 133.16 3.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -157.15 167.23 30.99 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 122.722 0.409 . . . . 0.0 111.099 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -69.54 160.64 31.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 169.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.04 -23.58 65.9 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.187 -0.32 . . . . 0.0 110.786 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.54 -3.43 58.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.335 0.654 . . . . 0.0 111.866 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -118.57 -33.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 123.693 0.797 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -56.35 -38.85 71.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.001 -0.437 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.88 -21.05 66.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.44 -0.162 . . . . 0.0 111.017 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -87.02 -36.36 18.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.628 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 118.536 0.607 . . . . 0.0 109.513 176.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.69 108.42 11.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.59 147.33 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.3 159.19 42.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -117.89 142.22 47.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.7 128.61 15.41 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.353 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -79.34 149.25 31.79 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -57.56 132.28 21.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 O-C-N 121.763 -0.586 . . . . 0.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 -0.4 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.969 -0.906 . . . . 0.0 112.903 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -108.85 -176.55 3.07 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.323 1.061 . . . . 0.0 110.664 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.3 m -139.69 167.52 21.91 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -171.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -143.64 165.7 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.287 1.835 . . . . 0.0 107.26 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.31 153.86 47.81 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.685 -0.635 . . . . 0.0 112.218 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.16 142.92 27.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 -140.68 37.22 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.41 12.5 5.47 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.614 0.766 . . . . 0.0 110.044 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -137.83 7.91 2.76 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.664 0.786 . . . . 0.0 111.909 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.28 146.43 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.279 0.945 . . . . 0.0 110.799 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -139.84 156.58 46.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.263 1.025 . . . . 0.0 108.254 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -136.0 147.12 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 55.6 m -142.78 123.3 14.01 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -78.74 93.62 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.45 -30.49 70.22 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.69 -170.07 34.62 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.407 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.96 162.32 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 122.558 0.343 . . . . 0.0 110.272 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -146.6 82.68 1.59 Allowed 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -111.86 3.44 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -171.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.23 -1.92 26.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.937 0.369 . . . . 0.0 110.426 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -78.58 155.52 29.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.5 t -142.71 118.81 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -78.5 118.94 21.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -121.14 123.35 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.96 149.85 19.17 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.3 mt -135.2 145.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.3 105.09 5.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.56 156.16 52.94 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.948 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.17 151.73 55.4 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.864 2.376 . . . . 0.0 110.279 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.22 -5.79 5.6 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.219 -0.301 . . . . 0.0 110.563 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.72 -8.59 36.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.085 0.954 . . . . 0.0 111.213 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.65 160.33 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.234 0.614 . . . . 0.0 109.784 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.38 156.79 16.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 111.341 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 133.71 4.47 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -156.95 165.62 35.65 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.697 0.284 . . . . 0.0 111.696 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -67.15 155.58 38.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -65.31 -23.39 67.0 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.767 -0.583 . . . . 0.0 110.435 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.41 -2.85 54.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.305 0.642 . . . . 0.0 111.93 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -119.6 -35.71 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 124.252 1.021 . . . . 0.0 110.033 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -56.98 -37.44 71.61 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.975 -0.453 . . . . 0.0 110.852 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.57 -22.93 67.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.23 -0.293 . . . . 0.0 110.834 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -87.16 -35.03 18.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.211 0.604 . . . . 0.0 111.833 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.531 0.236 0 CA-C-N 119.011 0.823 . . . . 0.0 109.074 176.729 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.85 -0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 104.29 9.45 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.86 147.33 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.112 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -141.34 155.84 45.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.6 p -115.61 141.06 48.57 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.05 128.16 15.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.87 149.8 32.37 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -56.59 138.11 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.076 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -3.85 58.42 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.812 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -104.3 -175.53 2.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.518 1.159 . . . . 0.0 110.353 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.54 167.77 21.37 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -172.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -144.16 165.38 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 125.97 1.708 . . . . 0.0 107.533 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.9 154.0 49.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.655 -0.653 . . . . 0.0 112.227 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.3 mt -142.31 144.7 24.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -139.25 41.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.35 10.69 5.31 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.662 0.785 . . . . 0.0 109.438 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -139.63 8.39 2.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.42 0.688 . . . . 0.0 111.997 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.26 145.74 35.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 119.081 0.855 . . . . 0.0 110.514 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -137.73 154.98 49.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -135.43 148.54 28.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.8 m -143.63 124.83 14.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -79.26 93.37 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.07 -32.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.884 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.37 -172.42 35.36 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.294 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.63 161.9 39.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 122.83 0.452 . . . . 0.0 110.448 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -150.08 105.5 3.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.47 0.34 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 -173.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -126.32 2.7 7.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.409 0.684 . . . . 0.0 110.506 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -73.93 160.44 31.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -141.36 124.74 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -90.06 125.06 35.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -127.57 127.96 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.3 148.68 18.79 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.65 144.86 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -135.75 103.99 5.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.14 155.37 54.81 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.169 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.64 152.51 59.33 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.676 2.251 . . . . 0.0 110.007 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.85 -3.55 5.26 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.471 0.177 . . . . 0.0 110.534 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.55 -8.25 45.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 111.27 172.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.1 160.67 29.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.157 0.583 . . . . 0.0 109.505 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.96 156.05 17.61 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 111.721 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.86 133.23 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -157.34 168.03 28.55 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.559 0.695 . . . . 0.0 112.803 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -66.86 149.89 49.95 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 167.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -58.63 -34.55 71.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.584 -0.698 . . . . 0.0 111.824 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.2 -12.12 60.04 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.3 -34.62 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 123.296 0.639 . . . . 0.0 109.611 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.32 -43.73 75.2 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 118.003 0.365 . . . . 0.0 110.76 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.85 -20.66 65.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -81.7 -37.64 27.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.971 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.179 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 110.6 12.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.65 146.72 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.186 0.594 . . . . 0.0 109.598 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -140.46 158.86 43.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.6 p -122.65 143.61 49.66 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 110.018 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -155.77 161.83 40.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.881 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -99.82 164.56 11.97 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.92 140.22 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.732 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.15 -7.19 64.26 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 123.747 0.689 . . . . 0.0 112.718 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -86.01 -170.64 3.19 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.132 0.966 . . . . 0.0 112.798 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -150.43 157.75 43.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.928 0.891 . . . . 0.0 111.115 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mm -144.91 165.24 12.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.731 1.612 . . . . 0.0 107.849 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.66 151.89 51.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.681 0.673 . . . . 0.0 111.818 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -144.62 141.64 23.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.02 -138.92 44.33 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.57 10.34 5.17 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.8 8.82 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.324 0.65 . . . . 0.0 111.849 -174.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.71 144.57 36.98 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -141.09 155.76 46.09 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -131.05 149.32 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -174.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -134.74 147.49 50.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.41 90.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.25 -29.03 70.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.5 -169.4 33.36 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.394 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.99 162.85 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.022 0 C-N-CA 122.673 0.389 . . . . 0.0 109.977 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -151.3 106.69 3.34 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.29 -97.66 0.34 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -173.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -125.35 0.31 7.68 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.21 160.06 32.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.45 116.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -79.2 111.73 15.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.25 121.52 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.92 149.52 19.38 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -134.52 145.14 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -134.22 102.0 5.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.51 155.28 49.38 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.49 151.8 53.64 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.062 2.508 . . . . 0.0 110.425 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.89 -5.31 5.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.218 -0.301 . . . . 0.0 110.608 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -8.9 36.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.239 1.016 . . . . 0.0 111.429 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.11 160.52 29.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 123.641 0.776 . . . . 0.0 109.388 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.87 16.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 111.541 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.19 132.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -157.25 167.83 29.19 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.75 0.31 . . . . 0.0 111.025 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -70.87 160.21 33.22 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -66.06 -23.58 66.56 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.995 -0.441 . . . . 0.0 110.437 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.11 -2.89 57.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.415 0.686 . . . . 0.0 111.908 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.3 mm -119.31 -34.16 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 124.063 0.945 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.59 -38.6 72.24 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.921 0.328 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.06 -20.88 66.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.48 -0.137 . . . . 0.0 110.857 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.99 -37.39 17.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.61 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 118.875 0.761 . . . . 0.0 109.408 177.18 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 tpp . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 108.89 11.82 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.81 144.65 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.01 134.57 26.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -92.01 147.05 23.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -150.31 141.67 23.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 8.9 tptm -90.82 151.56 21.12 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 m -57.4 135.4 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.46 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.22 -0.767 . . . . 0.0 112.851 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -114.89 -175.72 2.75 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.41 1.105 . . . . 0.0 110.74 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -141.38 170.61 15.41 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -144.36 165.45 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.346 1.859 . . . . 0.0 107.458 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -137.57 153.42 49.95 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.507 -0.745 . . . . 0.0 112.069 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.8 mt -142.97 142.62 25.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -141.14 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.95 11.36 5.58 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.308 0.643 . . . . 0.0 110.301 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.55 7.56 2.8 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.768 0.827 . . . . 0.0 111.615 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.52 147.7 33.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 CA-C-N 119.277 0.944 . . . . 0.0 110.274 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.2 m -139.83 154.46 47.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.23 149.14 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m -140.41 149.18 42.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.18 89.26 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 mt -65.13 -32.19 73.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.298 -173.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.4 -170.45 36.41 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.631 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.18 164.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 123.075 0.55 . . . . 0.0 109.752 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -152.75 86.97 1.27 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.92 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.57 0.16 35.94 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -75.78 160.19 30.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.153 0.501 . . . . 0.0 110.449 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -142.37 120.5 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -83.74 121.18 26.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 169.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.19 142.55 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.87 151.29 18.04 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.06 145.11 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.62 103.73 5.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.14 155.57 58.3 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.171 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.0 152.12 62.64 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.002 2.468 . . . . 0.0 110.346 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.538 ' HZ3' ' HB3' ' A' ' 38' ' ' LYS . 4.4 mmmp? -65.41 -3.55 4.43 Favored 'General case' 0 CA--C 1.528 0.102 0 O-C-N 122.374 -0.204 . . . . 0.0 110.655 175.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.96 -11.2 55.92 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.193 0.997 . . . . 0.0 110.818 172.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.21 160.7 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.895 0.878 . . . . 0.0 109.594 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.24 157.24 17.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.977 0.418 . . . . 0.0 111.479 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.17 132.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -157.1 163.15 39.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.641 0.258 . . . . 0.0 111.635 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -64.47 161.76 16.57 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.4 -30.22 70.54 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -78.71 -9.01 59.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -112.13 -32.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 110.101 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.08 -37.15 71.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 117.777 0.262 . . . . 0.0 111.193 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.62 -20.88 66.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.085 -0.052 . . . . 0.0 110.984 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.26 -37.13 17.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.567 0.347 . . . . 0.0 111.334 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.84 107.96 10.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.51 143.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.83 134.4 26.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -97.8 147.19 24.65 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.506 ' HE ' ' CG2' ' C' ' 22' ' ' ILE . 8.1 ptt180 -152.1 -178.0 6.51 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.771 173.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.83 153.14 46.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -173.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.76 124.18 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.997 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.8 3.45 30.23 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.475 -0.625 . . . . 0.0 112.677 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -110.86 -176.54 2.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.245 1.022 . . . . 0.0 111.628 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -149.03 167.59 25.42 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.971 0.508 . . . . 0.0 112.332 -174.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 mt -145.61 164.47 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.725 1.61 . . . . 0.0 107.855 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -130.7 153.53 48.89 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.386 0.612 . . . . 0.0 111.736 -175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -142.99 139.6 27.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.19 -140.53 35.63 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -130.08 11.88 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.323 0.649 . . . . 0.0 110.462 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -137.32 7.98 2.88 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.647 0.779 . . . . 0.0 112.306 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.96 143.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.047 0.84 . . . . 0.0 110.577 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -139.84 154.36 47.3 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.43 149.26 32.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -140.41 153.15 46.22 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 122.871 0.468 . . . . 0.0 110.123 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . 0.506 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 3.3 tp -112.4 97.76 6.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.92 -30.14 65.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.449 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.53 -169.83 35.05 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.08 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.77 165.75 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 123.036 0.534 . . . . 0.0 110.26 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.96 101.45 2.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.91 -111.69 4.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -170.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.402 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 2.0 mp0 -107.97 0.24 21.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 122.749 0.419 . . . . 0.0 111.183 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -79.45 157.44 27.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.9 t -143.07 118.92 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -78.91 114.67 18.04 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 mt -114.44 141.06 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.57 150.48 18.06 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -136.32 145.45 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -135.62 103.53 5.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.62 155.62 52.85 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.366 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.11 151.1 61.04 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.367 2.711 . . . . 0.0 110.25 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.51 -3.83 3.44 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.305 -0.247 . . . . 0.0 110.417 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.21 -11.36 57.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.957 0.903 . . . . 0.0 111.126 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.97 160.37 33.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 123.679 0.791 . . . . 0.0 109.663 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.31 156.59 16.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.731 0.301 . . . . 0.0 111.339 -175.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 131.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -157.1 164.11 38.24 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 122.816 0.446 . . . . 0.0 110.762 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.75 163.25 27.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -64.64 -24.74 67.68 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -172.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -86.69 -3.76 59.08 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.919 0.781 . . . . 0.0 112.166 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 mm -112.31 -33.65 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 C-N-CA 123.141 0.576 . . . . 0.0 109.896 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.89 -39.54 71.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.0 0.364 . . . . 0.0 110.962 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.43 -20.69 65.78 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.886 0.116 . . . . 0.0 110.948 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -86.76 -35.77 18.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.734 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 118.67 0.668 . . . . 0.0 109.268 177.104 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.23 111.29 15.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.05 147.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.079 0.552 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.75 158.42 43.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -122.27 138.54 54.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.96 144.18 22.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.466 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -82.74 159.93 22.44 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.268 1.027 . . . . 0.0 108.961 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.37 145.81 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.568 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 -2.22 86.23 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.901 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -97.08 -171.93 2.33 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.636 1.218 . . . . 0.0 112.128 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -142.35 158.3 43.86 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.48 0.712 . . . . 0.0 111.256 -169.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.8 mm -146.7 165.2 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.6 1.56 . . . . 0.0 107.203 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -139.75 153.4 47.17 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.975 0.807 . . . . 0.0 112.51 -175.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.47 146.36 20.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.617 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 -142.39 39.03 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -128.43 10.56 6.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.595 0.758 . . . . 0.0 109.525 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.72 10.19 1.8 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.59 0.756 . . . . 0.0 111.782 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.83 145.39 35.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.093 0.86 . . . . 0.0 110.883 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 m -137.35 154.23 50.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -132.73 148.24 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -135.79 154.79 51.1 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -118.19 96.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.61 -29.35 69.37 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.509 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.85 -170.99 33.16 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.216 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.13 162.28 40.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.113 0 C-N-CA 122.661 0.384 . . . . 0.0 110.412 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -150.78 105.47 3.28 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.36 -97.08 0.36 Allowed Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 -173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.37 -0.71 6.96 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 123.179 0.592 . . . . 0.0 110.864 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 27.6 mt-30 -72.9 154.38 40.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 172.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.47 114.16 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -77.93 101.98 7.1 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 171.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -99.31 146.44 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.37 150.2 16.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' C' ' 1' ' ' MET . 68.2 mt -135.13 144.89 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -135.29 102.0 5.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.58 153.96 55.63 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.118 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.7 152.09 64.17 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.995 2.464 . . . . 0.0 110.421 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.54 -3.11 4.03 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.332 -0.23 . . . . 0.0 110.416 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.59 -11.87 59.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.155 0.982 . . . . 0.0 110.732 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.94 161.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.094 0.958 . . . . 0.0 109.317 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.84 157.53 17.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.859 0.362 . . . . 0.0 111.324 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.13 136.26 7.47 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -157.91 164.43 36.89 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.457 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -74.44 163.23 28.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 169.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.09 -23.82 66.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.37 0.1 56.57 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.333 0.515 . . . . 0.0 111.839 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -118.29 -33.85 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 123.712 0.805 . . . . 0.0 109.458 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.17 -46.72 72.4 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.217 -0.302 . . . . 0.0 110.72 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -61.34 -24.24 66.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.01 0.524 . . . . 0.0 111.464 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.99 -43.13 55.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.873 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 45.6 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.754 -0.165 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.69 110.89 14.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 174.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.28 145.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.322 0.649 . . . . 0.0 109.628 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.96 134.62 26.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -93.82 145.66 24.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.593 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 1.3 tpm_? -149.16 131.15 15.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.426 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.409 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.4 tptm -80.98 147.69 30.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -55.56 138.39 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.151 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.67 -9.39 55.46 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.062 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -101.3 -174.46 2.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.369 1.085 . . . . 0.0 111.151 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.44 169.67 17.24 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -145.94 165.44 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 107.64 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -138.63 153.66 48.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.509 -0.745 . . . . 0.0 112.084 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -143.21 144.78 23.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.5 -139.84 44.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.98 10.26 5.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.564 0.745 . . . . 0.0 109.373 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -141.87 8.92 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.742 0.817 . . . . 0.0 111.995 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.7 147.01 33.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 119.132 0.878 . . . . 0.0 111.098 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -138.78 155.22 48.36 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.368 1.067 . . . . 0.0 108.226 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.88 147.06 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -142.72 119.63 11.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -76.51 91.19 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.87 -31.19 72.3 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.053 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.42 -170.29 33.96 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.866 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.06 165.2 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.604 0.361 . . . . 0.0 110.475 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -153.21 105.06 2.85 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.26 -96.66 0.41 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -126.1 1.17 7.2 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 123.498 0.719 . . . . 0.0 110.587 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -72.62 160.61 31.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.95 120.61 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -83.77 120.77 26.44 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 170.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -123.9 122.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.77 147.2 18.51 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 108.104 -1.998 . . . . 0.0 108.104 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.14 144.33 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -135.56 105.1 6.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.98 156.33 51.25 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.098 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.34 152.83 55.72 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.064 2.51 . . . . 0.0 110.007 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.489 ' HZ1' ' HB3' ' C' ' 38' ' ' LYS . 4.6 mmmp? -65.37 -5.08 6.53 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.025 -0.422 . . . . 0.0 110.407 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -68.14 -8.02 34.88 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.721 0.809 . . . . 0.0 110.893 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.12 160.66 29.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 C-N-CA 123.601 0.761 . . . . 0.0 109.615 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.61 16.64 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.694 -176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 130.02 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -157.56 171.26 20.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 112.001 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -72.94 162.33 29.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.21 -34.26 76.13 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.027 -0.421 . . . . 0.0 110.773 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -78.83 -9.75 59.57 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -106.58 -32.49 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 C-N-CA 123.395 0.678 . . . . 0.0 109.659 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.57 -41.9 77.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.213 -0.305 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.35 -21.18 66.11 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.349 -0.22 . . . . 0.0 111.323 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -84.39 -36.12 22.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.332 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.622 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 46.9 tpp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.642 -0.133 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.36 108.79 11.15 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.75 146.44 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.144 0.578 . . . . 0.0 109.446 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -141.93 158.97 43.15 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 174.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 p -120.89 141.61 50.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.429 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.3 mmp_? -144.69 134.4 23.54 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -76.62 154.08 34.69 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 m -59.58 131.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 118.617 -1.233 . . . . 0.0 110.118 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.64 -16.03 37.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.583 0.611 . . . . 0.0 112.419 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -84.76 -178.7 6.93 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.027 0.913 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -143.26 167.42 22.17 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.451 0.643 . . . . 0.0 112.507 -174.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mm -142.98 165.2 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.364 1.865 . . . . 0.0 107.627 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.11 153.97 46.87 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.628 -0.67 . . . . 0.0 112.297 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -143.37 142.96 25.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.07 0.948 . . . . 0.0 108.701 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -140.74 41.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.38 10.8 5.31 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.279 0.632 . . . . 0.0 109.858 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -138.99 8.29 2.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.736 0.815 . . . . 0.0 112.024 -177.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.63 146.24 34.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 118.782 0.719 . . . . 0.0 110.605 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.0 m -138.15 155.11 49.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.339 1.055 . . . . 0.0 108.233 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mm -136.3 148.5 27.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.6 m -144.01 129.8 19.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -82.48 93.04 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.96 -30.62 71.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.07 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.25 -169.18 33.72 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.811 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.24 162.42 39.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.776 0.43 . . . . 0.0 110.191 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -152.9 94.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.55 -123.97 9.37 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 -170.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.22 2.0 45.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -79.63 160.36 26.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.06 120.12 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.51 117.41 20.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.08 128.95 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.07 150.13 16.82 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -134.05 145.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.66 103.46 5.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.92 154.02 54.54 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 123.867 0.867 . . . . 0.0 108.7 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -66.57 150.47 83.91 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.782 2.321 . . . . 0.0 109.39 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -5.86 4.78 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.176 -0.327 . . . . 0.0 110.208 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.96 -10.73 41.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.921 1.288 . . . . 0.0 111.531 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -136.48 159.39 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.15 153.72 17.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.323 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -153.41 132.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -155.86 164.14 38.9 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 122.897 0.479 . . . . 0.0 110.017 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -77.52 160.24 28.76 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.1 -24.16 66.03 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -169.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -85.98 -5.6 59.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.241 0.928 . . . . 0.0 111.965 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -111.3 -33.85 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.31 0.644 . . . . 0.0 109.715 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.7 -40.5 72.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.054 0.388 . . . . 0.0 111.163 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -64.13 -20.48 66.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.232 0.213 . . . . 0.0 111.145 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -85.88 -36.58 19.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.142 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.627 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.33 106.11 9.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.41 144.87 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.363 0.665 . . . . 0.0 109.258 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.22 134.56 27.82 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -93.24 147.87 22.53 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -149.74 135.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.44 149.42 25.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.25 129.05 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.0 0.56 35.94 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.999 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -112.92 -174.91 2.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.495 1.148 . . . . 0.0 110.687 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -140.82 170.49 15.65 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.0 mt -144.35 165.36 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.643 1.977 . . . . 0.0 107.691 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -139.75 153.74 47.25 Favored 'General case' 0 C--N 1.338 0.093 0 O-C-N 121.707 -0.621 . . . . 0.0 112.252 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -143.25 142.73 25.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.39 -141.31 34.9 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.73 11.23 5.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.356 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -136.58 7.59 3.04 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.69 0.796 . . . . 0.0 111.881 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.81 146.67 33.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 CA-C-N 119.2 0.909 . . . . 0.0 110.594 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -138.42 155.59 48.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -136.54 149.23 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -141.53 151.21 43.05 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.02 90.17 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.04 -31.19 72.3 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.042 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.02 34.33 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.718 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.97 163.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.838 0.455 . . . . 0.0 110.151 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.0 t -153.24 107.2 3.06 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -96.72 0.3 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -126.12 -0.33 7.14 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.278 0.631 . . . . 0.0 110.449 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.22 160.64 32.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.09 120.21 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -80.97 116.51 20.97 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -117.34 136.86 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.81 149.96 18.42 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 1' ' ' MET . 69.2 mt -136.5 145.04 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -136.59 103.57 5.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.47 155.71 60.58 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.523 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.99 152.03 62.59 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.14 2.56 . . . . 0.0 110.144 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.557 ' HZ2' ' HB3' ' C' ' 38' ' ' LYS . 4.6 mmmp? -65.71 -2.12 3.36 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.202 -0.311 . . . . 0.0 110.755 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.99 -11.3 58.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.91 0.884 . . . . 0.0 110.781 172.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.37 160.72 31.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.7 0.8 . . . . 0.0 109.472 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.46 157.51 16.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.13 135.63 7.92 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -157.8 169.78 23.83 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.383 0.273 . . . . 0.0 111.248 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -72.02 157.55 37.6 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 170.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.88 -23.3 67.19 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.679 -0.638 . . . . 0.0 110.731 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.43 -4.39 58.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.327 0.651 . . . . 0.0 111.528 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mm -115.45 -35.04 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.288 0.635 . . . . 0.0 110.186 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.55 -37.61 70.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.997 -0.44 . . . . 0.0 110.975 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.76 -20.48 65.96 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 121.958 0.103 . . . . 0.0 110.893 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.14 -35.54 21.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.485 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.499 -0.185 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.72 104.96 9.31 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.45 148.13 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.09 163.81 31.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -125.35 138.99 54.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.613 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -146.55 133.72 20.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.128 -176.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 2.8 tptm -80.66 148.1 30.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.37 135.78 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.873 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.57 -5.98 44.64 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.016 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -108.06 -174.59 2.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.692 1.246 . . . . 0.0 110.753 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m -140.02 170.3 16.1 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -144.49 165.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.446 1.898 . . . . 0.0 107.471 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -138.1 153.89 49.25 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.463 -0.773 . . . . 0.0 112.12 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -142.27 143.72 25.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.85 40.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -129.76 10.79 5.6 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.316 0.646 . . . . 0.0 109.549 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.53 9.14 2.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.737 0.815 . . . . 0.0 111.736 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.73 147.02 32.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 119.14 0.882 . . . . 0.0 110.544 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -138.38 154.76 48.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 108.429 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.61 148.99 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -144.33 126.0 15.1 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -79.87 89.37 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -64.69 -30.47 71.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.297 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.609 174.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.37 163.47 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 122.795 0.438 . . . . 0.0 110.255 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -153.66 106.82 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.69 -97.35 0.41 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -126.14 -0.49 7.12 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.281 0.632 . . . . 0.0 110.677 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.88 160.42 32.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.2 119.51 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -79.31 119.83 22.92 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.84 124.58 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.32 148.48 18.89 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' C' ' 1' ' ' MET . 61.9 mt -136.19 145.04 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -136.28 103.32 5.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.28 57.76 Favored Pre-proline 0 N--CA 1.45 -0.432 0 C-N-CA 123.829 0.852 . . . . 0.0 108.873 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.43 151.04 64.98 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.109 2.539 . . . . 0.0 110.096 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.21 -2.09 2.72 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.113 -0.367 . . . . 0.0 110.48 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.92 -11.29 60.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.326 1.051 . . . . 0.0 110.733 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.16 160.49 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.663 0.785 . . . . 0.0 109.409 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.75 157.29 16.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.377 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.36 133.79 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -156.6 170.72 21.73 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -72.77 160.24 32.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.12 -23.37 65.81 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.144 -0.347 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.69 -3.31 58.48 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.058 0.543 . . . . 0.0 111.654 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -119.03 -33.54 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 123.735 0.814 . . . . 0.0 110.137 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -56.71 -36.97 70.29 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 122.188 -0.32 . . . . 0.0 110.97 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -65.22 -20.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.475 -0.141 . . . . 0.0 111.147 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.08 -35.67 18.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.678 0.391 . . . . 0.0 111.396 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.73 -18.07 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -101.82 3.23 39.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.271 0.629 . . . . 0.0 111.374 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.41 -31.26 4.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.5 152.33 5.72 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.42 172.93 12.75 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.979 0.512 . . . . 0.0 111.253 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -146.56 -2.67 0.65 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.686 0.794 . . . . 0.0 111.104 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.441 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -69.02 -35.72 6.59 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 54.3 Cg_exo -54.71 171.24 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.288 2.659 . . . . 0.0 113.689 174.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 CA--C 1.527 0.093 0 C-N-CA 123.326 0.651 . . . . 0.0 111.756 -179.573 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.418 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 C5'-C4'-C3' 111.644 -2.571 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.472 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.538 -3.162 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.504 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.627 -3.073 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.504 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 111.178 2.978 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.631 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.024 -3.676 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.631 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 112.033 3.833 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.639 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.759 3.559 . 0.352 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.639 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.193 2.993 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.338 1 C5'-C4'-C3' 109.272 -4.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.682 3.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C3'-C2'-C1' 103.675 2.416 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 P-O3'-C3' 122.269 2.141 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C3'-C2'-C1' 104.031 2.812 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C5'-C4'-C3' 111.657 -2.562 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 O4'-C1'-N19 110.066 1.866 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 C5'-C4'-C3' 108.429 -4.714 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 99.77 -2.93 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.229 -3.471 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.551 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 100.014 -2.686 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.551 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.583 -3.117 . 0.732 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.514 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.328 -3.372 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.514 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.875 -2.825 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.4 110.63 13.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.82 146.48 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -141.03 159.92 41.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -118.62 142.48 47.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.61 127.99 14.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.096 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -76.48 150.81 36.6 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.3 140.15 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.795 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.55 -2.82 62.92 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.839 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -105.88 -175.19 2.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.489 1.144 . . . . 0.0 110.507 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -139.83 168.15 20.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -141.75 165.49 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 126.383 1.873 . . . . 0.0 107.537 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -140.29 153.54 46.51 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.516 -0.74 . . . . 0.0 112.683 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 108.744 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.62 -140.24 40.99 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.74 10.71 5.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.655 0.782 . . . . 0.0 109.681 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.67 8.95 1.97 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.491 0.716 . . . . 0.0 111.986 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 144.98 36.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 CA-C-N 119.205 0.912 . . . . 0.0 110.215 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -137.56 156.03 48.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -136.87 147.99 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.5 m -142.09 125.3 16.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -80.33 91.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -66.09 -31.4 72.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.932 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.0 -172.86 35.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.945 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.59 160.64 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 122.718 0.407 . . . . 0.0 110.444 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 p -153.14 113.93 4.09 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.79 -100.56 0.45 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -172.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.35 -0.48 7.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.866 0.466 . . . . 0.0 110.447 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.6 mt-30 -74.09 154.93 38.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -141.87 119.92 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 53.0 mtt85 -78.98 118.47 21.01 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 mt -121.58 119.54 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.44 151.9 20.03 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -136.1 145.01 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.48 104.7 5.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.3 154.84 50.07 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.732 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.12 151.93 61.77 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.883 2.389 . . . . 0.0 110.141 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.71 -2.28 3.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.338 -0.226 . . . . 0.0 110.522 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.13 -11.48 59.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.253 1.021 . . . . 0.0 110.919 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.12 160.6 32.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.918 0.887 . . . . 0.0 109.397 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 156.79 17.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.38 133.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -158.16 167.54 29.54 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 122.684 0.394 . . . . 0.0 110.975 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -69.75 160.54 31.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -67.05 -23.52 65.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.85 -5.45 59.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.894 0.478 . . . . 0.0 111.919 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 mm -115.52 -35.18 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 C-N-CA 123.749 0.82 . . . . 0.0 110.075 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -54.95 -37.72 66.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.931 0.332 . . . . 0.0 111.183 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.44 -20.56 66.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.098 0.159 . . . . 0.0 111.287 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -87.23 -31.54 20.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.589 0.356 . . . . 0.0 111.549 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -65.04 -18.39 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.7 3.57 29.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.649 0.779 . . . . 0.0 112.684 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.3 -11.84 13.65 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.52 -2.69 2.02 Favored Glycine 0 CA--C 1.527 0.783 0 CA-C-N 119.101 0.864 . . . . 0.0 113.118 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 63.68 160.39 0.1 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.521 1.528 . . . . 0.0 112.884 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.5 p -147.86 4.46 0.75 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.435 1.094 . . . . 0.0 110.048 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.475 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -154.03 44.8 0.25 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 81.8 Cg_exo -47.64 -41.58 30.45 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.779 2.32 . . . . 0.0 113.489 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 123.238 0.615 . . . . 0.0 110.668 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.408 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.425 -3.275 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.408 " H5'" HO2' ' D' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 99.31 -3.39 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.498 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.461 -3.239 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.498 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.733 -2.967 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 98.9 -3.8 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.985 3.785 . 0.56 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.515 HO2' " H5'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.325 -3.375 . 0.395 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.515 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.076 2.876 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 C5'-C4'-C3' 109.488 -4.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 O4'-C1'-N19 111.816 3.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 110.761 2.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O5'-C5'-C4' 112.606 1.719 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C3'-C2'-C1' 104.322 3.135 . 0.089 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.548 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C5'-C4'-C3' 111.638 -2.574 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 C5'-C4'-C3' 107.714 -5.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C4'-C3'-C2' 99.974 -2.726 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.59 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.358 -3.342 . 0.743 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.59 " H5'" HO2' ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.907 -2.793 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.487 HO2' " H5'" ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.648 -3.052 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.487 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.555 -3.145 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C4'-C3'-C2' 99.932 -2.768 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 119.675 -0.202 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.65 109.18 11.81 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.3 145.34 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.81 134.97 25.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -93.62 143.69 26.07 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.623 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -146.41 129.38 16.4 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 3.3 tptm -78.62 146.38 34.15 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 175.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -56.41 123.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.55 -6.81 16.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.237 -0.757 . . . . 0.0 113.396 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -108.29 -174.69 2.58 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.844 1.322 . . . . 0.0 111.538 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 m -140.48 169.88 16.84 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -171.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.61 164.78 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.363 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -136.76 153.56 50.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.651 0.66 . . . . 0.0 111.689 -175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -142.76 138.97 28.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.099 0.96 . . . . 0.0 108.73 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.89 -139.32 40.52 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.26 10.35 5.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.353 0.661 . . . . 0.0 110.176 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -138.0 7.91 2.72 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.327 0.651 . . . . 0.0 111.724 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.54 145.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.977 0.808 . . . . 0.0 110.592 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.2 m -138.69 154.74 48.61 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -133.95 148.93 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -142.08 144.51 33.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.74 90.69 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.55 -30.78 71.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.056 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.46 -167.58 33.54 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.25 167.22 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.226 0.536 . . . . 0.0 110.369 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -145.85 60.84 1.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.988 1.315 . . . . 0.0 107.864 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -114.42 3.83 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.458 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -94.67 -2.63 50.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.97 160.71 23.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -138.82 123.76 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 30.0 mtm180 -82.26 116.55 21.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 171.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -118.34 136.54 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.94 148.63 17.79 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.8 mt -134.55 145.16 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -136.4 103.67 5.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.59 155.88 56.63 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.779 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.81 152.07 57.89 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.529 2.152 . . . . 0.0 110.248 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.55 -4.39 5.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.052 -0.405 . . . . 0.0 110.47 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.07 -9.28 44.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.298 1.039 . . . . 0.0 111.332 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.87 160.65 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.585 0.754 . . . . 0.0 109.28 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.25 156.98 17.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 111.856 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.41 135.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -157.02 167.71 29.64 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 111.558 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -68.01 154.26 41.99 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 169.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.11 -23.85 67.26 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.562 0.619 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.04 -4.4 56.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.851 0.461 . . . . 0.0 111.742 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.24 -35.24 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 110.23 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -56.26 -37.05 69.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 117.89 0.314 . . . . 0.0 111.146 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.42 -20.68 66.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.483 -0.136 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -86.72 -36.19 18.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.551 0.34 . . . . 0.0 111.003 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.6 -17.45 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -102.72 2.35 35.63 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.45 0.7 . . . . 0.0 111.452 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.09 -29.92 6.16 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.924 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.62 153.53 5.89 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.36 171.62 16.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.506 -0.408 . . . . 0.0 111.397 -178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.8 p -141.32 7.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.66 0.784 . . . . 0.0 111.326 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -62.0 -34.39 15.7 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.324 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 55.9 Cg_exo -55.02 178.01 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.708 2.939 . . . . 0.0 113.523 172.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 CA--C 1.533 0.316 0 C-N-CA 123.626 0.771 . . . . 0.0 111.201 178.208 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.4 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.495 -3.205 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.466 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.359 -3.341 . 0.827 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.512 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.415 -3.285 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.512 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.259 -3.441 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.585 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 C4'-C3'-C2' 98.538 -4.162 . 0.604 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.585 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.712 3.512 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.884 3.684 OUTLIER-EPSILON 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.437 ' C4 ' H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 P-O3'-C3' 124.379 3.899 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 1 C5'-C4'-C3' 109.392 -4.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.594 3.394 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 110.459 2.259 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 P-O3'-C3' 122.155 2.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C3'-C2'-C1' 104.465 3.294 . 0.095 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O4'-C1'-N19 110.495 2.295 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.517 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C5'-C4'-C3' 111.463 -2.691 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 1 C5'-C4'-C3' 108.502 -4.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.559 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.77 -2.93 . 0.892 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.57 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.219 -3.481 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.57 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.981 -2.719 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.79 -2.91 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.502 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.651 -3.049 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.502 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 100.081 -2.619 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.414 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 107.86 11.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.77 147.18 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -139.46 157.9 45.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -118.86 139.45 51.6 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.61 129.36 16.17 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.606 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.458 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 2.7 tptm -78.77 149.16 32.71 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.17 130.68 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.06 0.05 41.39 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.979 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -111.22 -176.38 2.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.323 1.062 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -140.64 169.76 17.05 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.39 165.33 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 126.142 1.777 . . . . 0.0 107.41 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -138.79 153.95 48.44 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.498 -0.751 . . . . 0.0 112.391 -176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -142.9 143.31 25.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.976 0.91 . . . . 0.0 108.853 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.25 -140.56 42.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.62 10.12 5.58 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.603 0.761 . . . . 0.0 109.702 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.73 9.7 1.99 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.393 0.677 . . . . 0.0 112.101 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.39 146.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.2 0 CA-C-N 119.045 0.839 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -137.43 154.24 49.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -134.46 149.1 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -141.46 150.86 42.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.66 88.25 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.13 -30.83 71.9 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.208 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.55 -168.46 33.75 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.945 175.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.93 161.83 40.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.0 p -153.5 98.23 2.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.62 -125.34 11.47 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.8 mp0 -99.02 1.52 45.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.64 160.63 26.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -140.86 117.27 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -77.66 111.55 13.56 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -109.34 145.4 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.71 16.94 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -137.1 145.37 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -136.88 104.16 5.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.09 155.01 58.66 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.98 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 151.05 67.78 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.759 2.306 . . . . 0.0 110.198 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.12 -2.59 2.95 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.369 -0.207 . . . . 0.0 110.616 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.93 -11.34 58.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.307 1.043 . . . . 0.0 110.913 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 160.51 30.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 123.709 0.803 . . . . 0.0 109.526 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.53 156.18 17.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.13 132.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -157.62 166.84 31.81 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 122.389 0.275 . . . . 0.0 111.029 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.11 160.69 28.47 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -66.68 -23.72 66.17 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.032 -0.417 . . . . 0.0 110.519 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -85.85 -5.56 59.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.224 0.609 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.5 mm -114.22 -35.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 123.586 0.755 . . . . 0.0 109.875 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -54.94 -39.27 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.93 0.332 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.26 -20.72 66.55 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.89 -32.65 21.54 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.685 0.394 . . . . 0.0 111.65 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.437 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.6 mp -64.46 -18.53 23.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -105.55 3.1 28.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.567 0.747 . . . . 0.0 112.245 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.62 -9.45 13.75 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.09 -1.38 3.07 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 119.032 0.833 . . . . 0.0 113.038 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.2 mm? 63.06 164.4 0.11 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.062 1.345 . . . . 0.0 112.901 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -149.22 4.89 0.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.952 1.301 . . . . 0.0 109.569 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 64.57 8.18 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 123.927 0.891 . . . . 0.0 110.36 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -53.71 -171.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.817 3.678 . . . . 0.0 115.178 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.322 -174.085 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.491 -3.209 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.187 -3.513 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.367 -3.333 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.687 -3.013 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 99.475 -3.225 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 C4'-C3'-C2' 98.663 -4.037 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.615 HO2' ' P ' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 112.489 4.289 OUTLIER-EPSILON 0.457 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.615 ' P ' HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 P-O3'-C3' 124.81 4.258 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C5'-C4'-C3' 109.84 -3.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C1'-N19 111.887 3.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C3'-C2'-C1' 103.921 2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 P-O3'-C3' 122.1 2.0 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 104.111 2.901 . 0.05 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.105 2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.548 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 111.803 -2.465 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.44 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C4'-C3'-C2' 99.67 -3.03 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.583 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.364 -3.336 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.583 " H5'" HO2' ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 100.014 -2.686 . 0.68 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.507 HO2' " H5'" ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.842 -2.858 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.507 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.487 -3.213 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 100.155 -2.545 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.3 tpp . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.829 -0.129 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.68 111.78 14.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.65 145.74 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.149 0.58 . . . . 0.0 109.692 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -143.13 134.74 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -90.2 146.45 24.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.575 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -149.52 131.15 14.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.977 -0.452 . . . . 0.0 110.65 178.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -80.29 147.7 31.04 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.8 m -56.61 127.29 15.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.24 -4.69 26.83 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.192 -0.782 . . . . 0.0 113.063 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.0 -174.73 2.54 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.665 1.233 . . . . 0.0 111.394 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -140.41 171.35 14.26 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -144.35 165.15 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.452 1.901 . . . . 0.0 107.253 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -136.82 153.76 50.71 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.907 0.776 . . . . 0.0 112.799 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -142.79 142.42 26.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.201 1.0 . . . . 0.0 108.375 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -140.8 34.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.08 11.38 5.51 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.13 0.572 . . . . 0.0 110.168 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -137.31 8.38 2.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.599 0.759 . . . . 0.0 111.771 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.74 146.85 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 119.28 0.946 . . . . 0.0 110.858 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -139.32 154.98 47.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -134.23 149.27 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 m -142.18 151.11 41.88 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.35 91.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.11 -30.41 70.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.149 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.36 -171.1 34.6 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.264 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -135.31 164.33 33.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 122.626 0.371 . . . . 0.0 110.532 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -153.55 109.03 3.22 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.91 -98.01 0.33 Allowed Glycine 0 C--N 1.333 0.41 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.13 3.5 7.17 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 110.474 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 16.6 mt-30 -74.14 160.27 31.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.91 118.78 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -81.4 119.22 23.42 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -119.35 140.06 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 149.07 18.67 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 63.0 mt -134.92 144.4 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.54 103.68 5.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.12 155.71 58.35 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.162 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.19 151.48 60.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.869 2.379 . . . . 0.0 110.037 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.39 -5.03 6.46 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.238 -0.289 . . . . 0.0 110.401 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -67.35 -8.59 33.78 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.4 1.08 . . . . 0.0 111.39 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.67 161.42 30.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.484 0.713 . . . . 0.0 109.433 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.2 156.93 17.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 111.5 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.13 132.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -157.16 165.25 36.52 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtp-105 -64.86 154.29 37.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.1 -23.95 67.51 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.88 -0.512 . . . . 0.0 112.288 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.5 -8.41 54.91 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.223 0.465 . . . . 0.0 111.717 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -102.76 -35.48 3.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 123.376 0.67 . . . . 0.0 109.728 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.96 -43.15 73.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.856 0.298 . . . . 0.0 110.661 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -64.01 -20.41 65.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.051 0.14 . . . . 0.0 111.061 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -84.89 -36.23 21.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.194 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.57 -18.61 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -99.05 4.31 47.03 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.998 0.519 . . . . 0.0 111.165 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.94 -13.97 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.47 151.02 5.89 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.506 ' HA ' ' H41' ' D' ' 7' ' ' ' C' . 2.9 mm? -126.17 153.83 44.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.483 0.642 . . . . 0.0 111.569 -171.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.0 t -152.38 1.84 0.33 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.532 1.133 . . . . 0.0 109.71 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.23 68.16 9.29 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 124.408 1.083 . . . . 0.0 108.898 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.06 175.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.899 3.733 . . . . 0.0 114.881 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 124.38 1.072 . . . . 0.0 112.42 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.421 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.595 -3.105 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.421 " H5'" HO2' ' B' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.511 -3.189 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.453 -3.247 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.589 -3.111 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.585 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 98.896 -3.804 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.585 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 98.758 -3.942 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.804 3.604 OUTLIER-EPSILON 0.364 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.557 HO2' " H5'" ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 P-O3'-C3' 125.569 4.891 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.557 " H5'" HO2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C5'-C4'-O4' 113.706 3.219 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C5'-C4'-C3' 112.311 -2.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O5'-C5'-C4' 112.952 1.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 C3'-C2'-C1' 104.26 3.067 . 0.071 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 111.122 2.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.568 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 C5'-C4'-C3' 108.36 -4.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.574 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.655 -3.045 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.594 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.411 3.211 . 0.718 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.594 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.979 -2.721 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.525 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.695 -3.005 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.505 " H5'" HO2' ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.566 -3.134 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.468 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.797 -2.903 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.8 tpp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 119.999 -0.048 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 110.0 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 176.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.23 145.12 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.38 135.07 26.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -96.8 147.08 24.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.11 161.81 41.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.49 174.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 2.5 tptm -103.26 152.6 21.32 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -56.21 131.12 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.487 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.99 -7.92 33.3 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.174 -0.792 . . . . 0.0 113.682 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -98.75 -179.1 4.19 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.813 1.307 . . . . 0.0 112.562 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m -139.84 166.07 25.62 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mt -144.11 165.4 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 126.298 1.839 . . . . 0.0 107.959 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.09 153.08 52.15 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-O 121.511 0.672 . . . . 0.0 112.383 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.22 143.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 124.625 1.17 . . . . 0.0 108.055 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.52 -140.49 36.96 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -130.25 10.67 5.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.455 0.702 . . . . 0.0 110.177 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -137.41 9.26 2.92 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.614 0.766 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.56 146.72 33.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.089 0.859 . . . . 0.0 110.69 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -139.43 155.62 47.49 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -133.75 149.22 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -140.29 152.1 45.61 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -112.2 86.11 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.46 -28.54 69.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.81 -168.82 32.92 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.723 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.8 163.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 122.723 0.409 . . . . 0.0 110.033 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -152.65 89.24 1.39 Allowed 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.29 -120.53 7.15 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.88 1.72 43.14 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 117.12 0.46 . . . . 0.0 109.84 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.4 160.5 26.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -140.65 118.32 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -80.14 113.16 18.11 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.19 142.34 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 149.56 18.63 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.3 mt -134.73 144.94 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -136.41 103.34 5.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.72 155.22 59.91 Favored Pre-proline 0 N--CA 1.454 -0.269 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.114 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.74 152.04 58.27 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.716 2.277 . . . . 0.0 109.71 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.92 -4.26 6.63 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.291 -0.255 . . . . 0.0 110.538 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.7 -9.05 40.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.338 1.055 . . . . 0.0 110.976 171.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.93 160.63 29.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 123.693 0.797 . . . . 0.0 109.454 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.83 156.6 17.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.277 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.34 136.82 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -155.24 166.59 33.09 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.54 0.686 . . . . 0.0 111.597 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -70.68 150.73 45.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -62.15 -23.88 66.84 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.51 -0.744 . . . . 0.0 112.323 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -86.18 -0.83 56.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.966 -0.459 . . . . 0.0 111.679 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 mm -117.5 -34.65 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 124.447 1.099 . . . . 0.0 110.09 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -56.31 -38.82 71.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.041 0.382 . . . . 0.0 110.687 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.41 -20.98 66.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 122.469 -0.144 . . . . 0.0 110.979 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -84.29 -37.1 22.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.394 0.278 . . . . 0.0 111.351 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.54 -16.8 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -102.19 4.15 39.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.429 0.691 . . . . 0.0 111.555 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.79 -31.0 4.04 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.05 149.51 4.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -162.98 167.71 22.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.383 -0.481 . . . . 0.0 112.278 -174.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 53.4 p -148.14 16.77 1.07 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.387 1.075 . . . . 0.0 110.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.624 ' H ' ' HD3' ' C' ' 58' ' ' PRO . . . -136.36 1.13 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -173.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.624 ' HD3' ' H ' ' C' ' 57' ' ' ALA . 74.0 Cg_exo -52.46 171.16 0.21 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.228 1.952 . . . . 0.0 113.594 172.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.393 179.491 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C5'-C4'-C3' 111.503 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.451 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.469 -3.231 . 0.844 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.451 " H5'" HO2' ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.549 -3.151 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.685 -3.015 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.607 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.865 -3.835 . 0.606 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.607 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 112.028 3.828 . 0.535 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.522 HO2' " H5'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C4'-C3'-C2' 99.477 -3.223 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.522 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 O4'-C1'-N19 111.115 2.915 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C5'-C4'-C3' 109.667 -3.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.506 ' H41' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.847 3.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.842 -2.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 P-O3'-C3' 122.002 1.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C3'-C2'-C1' 104.182 2.98 . 0.063 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 111.224 3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.555 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C5'-C4'-C3' 111.901 -2.399 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 1 C5'-C4'-C3' 108.281 -4.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.562 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 99.755 -2.945 . 0.469 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.562 " H5'" HO2' ' D' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.45 -3.25 . 0.739 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.557 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.933 -2.767 . 0.7 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.557 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.56 -3.14 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.517 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.917 -2.783 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.471 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.918 -2.782 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.779 -0.082 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.65 110.11 11.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.91 147.75 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.76 161.09 38.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.13 139.54 53.2 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -146.64 135.6 22.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.303 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.1 tptm -81.86 149.39 28.32 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.97 138.55 16.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.846 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.63 -1.42 58.38 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.983 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -110.67 -177.12 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.394 1.097 . . . . 0.0 110.828 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 m -138.01 170.57 15.81 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -144.36 165.83 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.277 1.831 . . . . 0.0 107.106 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.18 153.6 50.4 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.014 0.825 . . . . 0.0 112.119 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -144.69 140.22 23.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.691 0.797 . . . . 0.0 109.089 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.02 -140.15 39.43 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.36 10.93 5.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 110.519 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -139.06 8.56 2.5 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.732 0.813 . . . . 0.0 111.976 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.75 146.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-N 119.112 0.869 . . . . 0.0 110.497 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -140.32 156.86 46.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.03 149.12 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -142.28 127.33 18.45 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.64 93.91 2.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.03 -30.74 70.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.698 -174.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.88 -170.82 35.4 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.979 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.64 160.51 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.976 0.51 . . . . 0.0 109.767 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -148.02 82.61 1.5 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 -115.35 4.35 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -101.81 0.21 35.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.53 158.94 28.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.887 0.375 . . . . 0.0 110.084 172.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.5 122.41 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -83.64 121.64 27.53 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -121.96 127.78 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.72 150.65 17.58 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -135.02 145.16 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -135.21 103.51 5.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.44 53.55 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.089 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.7 153.37 54.01 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.124 2.55 . . . . 0.0 110.289 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.555 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 4.3 mmmp? -66.09 -2.62 4.32 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.08 -0.387 . . . . 0.0 110.633 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.84 -11.33 60.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.811 0.844 . . . . 0.0 110.627 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.31 161.27 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.8 0.84 . . . . 0.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.78 157.46 17.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 111.548 -175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.47 134.04 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.05 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -157.17 168.96 25.89 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.375 0.27 . . . . 0.0 111.427 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -70.3 161.13 30.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -66.44 -23.82 66.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.98 -7.41 59.16 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.828 0.451 . . . . 0.0 112.034 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -114.14 -33.25 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 123.648 0.779 . . . . 0.0 109.953 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -57.03 -36.92 71.02 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.207 -0.308 . . . . 0.0 110.821 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.08 -20.83 66.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.43 -0.169 . . . . 0.0 110.9 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.69 -36.78 18.52 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.51 0.324 . . . . 0.0 111.303 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.46 -18.48 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -100.84 2.36 40.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.211 0.604 . . . . 0.0 111.518 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.31 -31.52 5.59 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 122.918 0.487 . . . . 0.0 111.677 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.58 154.44 6.24 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.56 176.26 9.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.895 0.478 . . . . 0.0 110.982 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 t -149.62 6.64 0.64 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.175 0.59 . . . . 0.0 110.975 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -66.34 -33.84 7.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 76.2 Cg_exo -53.07 171.25 0.25 Allowed 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.354 2.703 . . . . 0.0 114.374 175.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.547 0.739 . . . . 0.0 111.554 179.541 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 N19-C1'-C2' 109.032 -2.73 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.489 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.251 -3.449 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.501 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 99.562 -3.138 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.501 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.382 -3.318 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.59 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 98.724 -3.976 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.59 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 98.881 -3.819 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.998 3.798 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.637 3.437 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 1 C5'-C4'-C3' 108.922 -4.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 111.779 3.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 P-O3'-C3' 122.379 2.233 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 P-O3'-C3' 121.964 1.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C3'-C2'-C1' 104.089 2.877 . 0.098 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 O4'-C1'-N19 111.227 3.027 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.557 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-C3' 111.779 -2.481 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 108.261 -4.826 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.551 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.631 -3.069 . 0.424 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.551 " H5'" HO2' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.35 -3.35 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.534 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.827 -2.873 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.53 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.68 -3.02 . 0.757 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.5 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 99.458 -3.242 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.5 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.891 -2.809 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.83 108.46 10.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.35 146.89 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.08 159.5 42.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -121.36 146.24 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.415 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.5 mmp_? -143.69 163.49 33.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.418 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 6.5 tptm -111.03 151.82 27.58 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -56.3 114.44 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.455 0.57 . . . . 0.0 110.159 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.08 6.08 10.24 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.666 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -116.13 -179.84 3.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.198 0.999 . . . . 0.0 111.149 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.1 m -141.94 167.86 21.12 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -142.85 165.24 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 126.555 1.942 . . . . 0.0 107.077 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -137.89 153.28 49.57 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.447 -0.783 . . . . 0.0 112.202 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -142.2 142.22 27.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -140.05 36.77 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.35 12.68 5.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.472 0.709 . . . . 0.0 110.208 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -137.61 8.4 2.83 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.706 0.802 . . . . 0.0 111.93 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.13 145.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 119.296 0.953 . . . . 0.0 110.839 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.0 m -138.74 155.51 48.16 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.213 1.005 . . . . 0.0 108.408 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -135.1 147.95 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -143.64 130.98 20.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -86.37 99.93 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.43 -30.91 62.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.2 -173.92 36.08 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.599 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.6 160.72 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.97 0.385 . . . . 0.0 110.639 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.8 m -149.28 104.67 3.41 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.45 -98.82 0.42 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -123.3 -0.75 8.76 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.231 0.612 . . . . 0.0 110.558 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.422 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.0 mt-30 -73.88 155.14 39.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.37 120.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -78.8 121.03 24.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.47 128.51 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.71 149.38 17.68 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.2 mt -135.15 145.07 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.04 103.7 5.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.01 154.4 54.65 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.023 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.39 151.51 65.5 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.711 2.274 . . . . 0.0 110.226 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.2 -1.3 2.16 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.06 -0.4 . . . . 0.0 110.461 175.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.89 -10.66 59.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.202 1.001 . . . . 0.0 110.869 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.29 160.53 32.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.439 0.696 . . . . 0.0 109.602 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.71 156.24 17.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 111.282 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.53 134.27 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -158.0 173.84 16.14 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.688 0.28 . . . . 0.0 111.387 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -71.4 163.85 26.89 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -64.77 -31.01 72.05 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.217 -0.302 . . . . 0.0 110.761 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.12 -50.56 61.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.232 0.539 . . . . 0.0 110.432 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.75 -33.5 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.664 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -57.19 -42.54 81.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.69 -20.94 66.48 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.253 -0.28 . . . . 0.0 110.577 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -83.07 -37.89 23.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.41 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.12 -18.75 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -99.46 3.95 45.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.155 0.582 . . . . 0.0 111.468 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.95 -15.62 4.79 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.22 149.82 5.63 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 109.966 -1.253 . . . . 0.0 109.966 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -128.75 152.25 48.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.602 0.701 . . . . 0.0 110.977 -172.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.7 p -144.46 -5.84 0.73 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.03 0.932 . . . . 0.0 110.287 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.53 62.62 2.96 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 124.239 1.016 . . . . 0.0 109.654 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.27 164.48 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.055 3.17 . . . . 0.0 114.536 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.619 -179.416 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.421 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.457 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 98.911 -3.789 . 0.831 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.471 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.166 -3.534 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.471 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.421 -3.279 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.04 -3.66 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C4'-C3'-C2' 99.224 -3.476 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 110.99 2.79 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.558 HO2' " H5'" ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.72 1 C5'-C4'-C3' 108.415 -4.723 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . 0.558 " H5'" HO2' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.875 0 C4'-C3'-C2' 99.166 -3.534 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 O4'-C1'-N19 110.515 2.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 O5'-C5'-C4' 112.827 1.877 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C3'-C2'-C1' 104.309 3.121 . 0.171 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 110.737 2.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.573 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 O4'-C1'-C2' 103.442 -2.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 1 C5'-C4'-C3' 107.923 -5.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.531 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.886 -2.814 . 0.104 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.531 " H5'" HO2' ' D' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.273 -3.427 . 0.751 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.549 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 100.179 -2.521 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.549 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C4'-C3'-C2' 99.57 -3.13 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.516 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 99.429 -3.271 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.48 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 100.233 -2.467 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 108.26 10.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.43 145.14 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.31 0.644 . . . . 0.0 109.355 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.65 134.82 25.72 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -95.92 144.67 26.04 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -142.98 163.77 31.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 6.3 tptm -112.75 154.3 26.39 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -54.97 113.92 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 118.512 0.596 . . . . 0.0 110.604 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.23 -17.62 9.04 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 123.915 0.769 . . . . 0.0 112.608 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -81.25 -178.62 7.0 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.086 0.943 . . . . 0.0 111.638 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -142.99 168.54 19.46 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -143.94 165.95 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.067 1.747 . . . . 0.0 107.411 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -137.43 153.58 50.1 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.453 -0.78 . . . . 0.0 112.146 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.03 144.09 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -140.72 39.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.72 10.7 5.61 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.439 0.696 . . . . 0.0 109.657 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -140.8 8.95 2.15 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.442 0.697 . . . . 0.0 111.749 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 145.95 34.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.033 0.833 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -137.34 155.21 49.68 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -134.27 148.93 29.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.4 m -141.69 150.16 41.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.17 93.42 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.62 -29.99 71.01 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.191 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.38 -169.16 34.32 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 118.432 0.56 . . . . 0.0 113.128 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.46 163.12 37.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 109.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 p -152.94 93.94 1.8 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.8 -122.16 8.17 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.84 2.01 43.51 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -78.78 160.12 27.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.056 0.455 . . . . 0.0 109.998 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -142.22 120.3 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -80.42 121.73 26.09 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -121.03 146.2 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.6 152.19 16.87 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -137.07 145.41 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -135.16 104.95 6.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.75 154.92 48.35 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.136 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.51 151.7 53.4 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.038 2.492 . . . . 0.0 110.334 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -63.57 -4.46 2.92 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.12 -0.362 . . . . 0.0 110.669 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.81 -11.93 57.07 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.229 1.011 . . . . 0.0 110.928 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.16 160.24 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.613 0.765 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.48 154.58 18.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.321 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -153.62 128.74 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.059 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -156.61 163.52 39.24 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.26 159.79 23.0 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -66.0 -24.19 66.72 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.365 -0.209 . . . . 0.0 110.467 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.78 -5.96 59.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.815 0.446 . . . . 0.0 112.063 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -113.87 -35.48 2.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.099 0 C-N-CA 123.658 0.783 . . . . 0.0 110.249 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.28 -37.64 67.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.064 0.393 . . . . 0.0 111.282 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -65.49 -21.15 66.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.405 -0.184 . . . . 0.0 111.163 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -87.53 -31.76 19.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.975 0.51 . . . . 0.0 111.625 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.439 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 2.3 mp -64.04 -18.51 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -104.81 4.84 32.63 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.99 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.43 -9.84 13.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -173.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.79 -2.94 3.1 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.225 0.92 . . . . 0.0 113.442 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 51' ' ' ILE . 2.2 mm? 61.16 167.79 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 113.42 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.5 t -153.92 -3.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.022 1.329 . . . . 0.0 108.622 172.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.68 122.5 3.14 Favored Pre-proline 0 N--CA 1.449 -0.489 0 C-N-CA 125.176 1.39 . . . . 0.0 108.194 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.23 176.09 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 124.574 3.516 . . . . 0.0 114.21 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 112.423 178.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.415 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 111.473 -2.684 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.487 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.236 -3.464 . 0.838 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.506 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.323 -3.377 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.506 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.378 -3.322 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.219 -3.481 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.243 -3.457 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.658 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.74 -2.96 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.658 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C3'-C2'-C1' 104.31 3.123 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.431 " H3'" ' C8 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 C5'-C4'-C3' 109.409 -4.061 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.405 ' C5 ' ' HD2' ' C' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 O4'-C1'-N19 112.061 3.861 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 100.603 -2.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 P-O3'-C3' 122.286 2.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C3'-C2'-C1' 104.211 3.013 . 0.168 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 110.609 2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.558 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.36 0 C5'-C4'-C3' 111.381 -2.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 C5'-C4'-C3' 108.042 -4.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.58 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.521 -3.179 . 0.484 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.589 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.127 -3.573 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.589 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 100.102 -2.598 . 0.676 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.543 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 99.842 -2.858 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.485 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.488 -3.212 . 0.809 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.485 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.714 -2.986 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 108.36 10.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 173.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.26 144.58 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.123 0.569 . . . . 0.0 109.48 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.06 134.35 26.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 172.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -95.78 149.17 21.8 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.14 164.56 38.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.145 174.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -106.58 151.55 24.88 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -55.64 122.48 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.35 -2.68 20.47 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 119.327 -0.707 . . . . 0.0 113.148 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -107.49 -179.97 4.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.672 1.236 . . . . 0.0 112.402 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -138.81 168.1 20.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -144.06 165.26 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.581 1.952 . . . . 0.0 107.653 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -133.01 153.3 51.61 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 121.288 0.566 . . . . 0.0 112.209 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -143.49 143.04 24.83 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.14 -140.7 35.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.38 12.39 5.48 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.807 0.843 . . . . 0.0 110.026 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -138.82 8.23 2.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.525 0.73 . . . . 0.0 111.903 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.93 146.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 118.921 0.782 . . . . 0.0 110.667 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.6 m -139.97 155.73 46.98 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.197 0.999 . . . . 0.0 108.441 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -133.36 149.2 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.091 0.956 . . . . 0.0 108.434 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.02 151.95 42.93 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 tp -112.64 88.96 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.59 -29.54 70.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.573 -174.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.87 -167.75 34.31 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.732 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.17 164.7 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 123.032 0.533 . . . . 0.0 109.953 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -146.54 78.68 1.51 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -114.58 4.2 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.421 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.8 mp0 -98.17 -1.32 42.43 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.456 HE22 ' N4 ' ' B' ' 4' ' ' ' C' . 42.2 mt-30 -75.29 160.42 30.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.045 0.45 . . . . 0.0 110.342 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -143.4 115.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -80.89 113.12 18.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.5 145.24 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.07 150.8 17.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.82 145.56 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -135.69 105.23 6.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.69 155.59 52.55 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 123.656 0.783 . . . . 0.0 109.532 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.14 152.74 62.39 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.858 2.372 . . . . 0.0 110.218 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.582 ' HZ1' ' HB3' ' C' ' 38' ' ' LYS . 4.6 mmmp? -65.48 -3.01 3.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.319 0.248 . . . . 0.0 110.591 175.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.09 -10.66 55.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.52 0.728 . . . . 0.0 111.092 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.87 160.44 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 124.088 0.955 . . . . 0.0 109.858 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.88 156.01 17.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.611 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -152.93 132.7 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -157.06 169.13 25.5 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.674 0.389 . . . . 0.0 110.952 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -69.58 165.23 21.54 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -64.81 -24.05 67.43 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.703 0.229 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -74.09 -50.77 18.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.706 0.765 . . . . 0.0 110.228 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -72.33 -32.93 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.926 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.88 -43.53 77.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.925 0.33 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.88 -20.49 65.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.877 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . 0.405 ' HD2' ' C5 ' ' B' ' 7' ' ' ' C' . 41.4 ttm180 -81.37 -38.73 26.16 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.47 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.43 -18.85 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -98.73 3.68 47.65 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.182 0.593 . . . . 0.0 111.271 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.75 -13.79 5.23 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.39 152.11 6.01 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.05 156.13 42.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.39 -0.477 . . . . 0.0 110.311 -172.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.5 p -142.66 1.18 1.31 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.862 0.865 . . . . 0.0 110.388 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.405 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -152.6 59.58 2.99 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.73 0.812 . . . . 0.0 110.508 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 77.7 Cg_exo -51.75 168.57 0.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.935 3.09 . . . . 0.0 113.913 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 CA--C 1.532 0.273 0 C-N-CA 123.493 0.717 . . . . 0.0 112.284 -178.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.402 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.838 -2.862 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.402 " H5'" HO2' ' D' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.27 -3.43 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.494 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.406 -3.294 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.494 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.384 -3.316 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.594 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.835 -3.865 . 0.632 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.637 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 98.753 -3.947 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.637 " H5'" HO2' ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.282 -3.418 . 0.322 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.519 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 111.739 3.539 . 0.143 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.702 -2.998 . 0.208 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 110.439 2.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 121.848 1.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C3'-C2'-C1' 104.479 3.309 . 0.275 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.505 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 111.711 -2.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 1 C5'-C4'-C3' 108.377 -4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C4'-C3'-C2' 99.877 -2.823 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.563 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.366 -3.334 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.563 " H5'" HO2' ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.844 -2.856 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.537 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.601 -3.099 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.696 -3.004 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 100.029 -2.671 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 46.9 tpp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 109.99 13.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.08 143.47 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.436 0.694 . . . . 0.0 109.3 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.62 134.86 27.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.1 p -93.45 146.42 23.77 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.429 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -145.46 137.54 25.57 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.303 0.641 . . . . 0.0 109.687 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 4.2 tptm -82.4 155.54 24.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 172.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.66 124.08 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 118.671 0.668 . . . . 0.0 109.932 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.37 -16.44 22.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.578 0.609 . . . . 0.0 112.437 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -83.15 -178.11 6.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.71 0.755 . . . . 0.0 111.167 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -142.21 166.81 23.68 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.95 165.42 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.505 1.922 . . . . 0.0 107.625 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.19 153.61 47.92 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.597 -0.69 . . . . 0.0 112.076 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -143.27 144.95 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.991 0.916 . . . . 0.0 108.545 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -140.35 37.36 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.07 10.76 5.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.362 0.665 . . . . 0.0 109.604 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -139.24 8.55 2.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.54 0.736 . . . . 0.0 111.752 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.43 145.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.935 0.788 . . . . 0.0 110.314 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -137.17 154.73 50.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -136.47 149.07 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -140.05 151.15 45.18 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.06 92.72 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.02 -31.73 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.178 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 -168.68 34.32 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.807 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.81 163.03 37.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.088 0.555 . . . . 0.0 109.85 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -148.73 80.77 1.44 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.56 -116.09 4.58 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -171.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.41 -0.82 40.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -76.6 159.46 30.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -142.66 118.68 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -81.38 117.58 21.96 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.39 142.61 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.82 150.85 17.01 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' C' ' 1' ' ' MET . 70.8 mt -135.93 145.24 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -136.16 104.19 5.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.04 155.61 58.64 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.336 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.31 151.75 66.12 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.087 2.525 . . . . 0.0 110.419 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.553 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 4.4 mmmp? -65.53 -2.14 3.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 122.274 -0.266 . . . . 0.0 110.642 175.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.19 -10.87 57.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.849 0.86 . . . . 0.0 110.698 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.87 160.79 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.934 0.893 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 157.01 17.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.49 0.186 . . . . 0.0 111.308 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 134.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -158.25 162.08 37.8 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.934 0.494 . . . . 0.0 110.37 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -74.94 159.01 32.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.23 -24.23 66.2 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.01 -4.26 59.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.938 -0.477 . . . . 0.0 112.027 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.99 -35.49 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.655 0.782 . . . . 0.0 109.64 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.98 -38.21 70.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.891 0.314 . . . . 0.0 111.148 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -65.22 -21.26 66.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.39 -0.193 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -83.6 -36.43 23.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.935 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.34 -19.74 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -102.95 2.68 35.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.12 -0.363 . . . . 0.0 111.129 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.28 -18.96 58.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.731 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.57 37.08 0.08 OUTLIER Glycine 0 C--N 1.34 0.803 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.471 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD13 ' H ' ' A' ' 57' ' ' ALA . 3.5 pp -160.05 -173.88 4.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.186 0.993 . . . . 0.0 113.449 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.2 p -139.77 40.75 2.0 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.347 1.459 . . . . 0.0 109.953 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' H ' HD13 ' A' ' 55' ' ' LEU . . . 61.21 82.6 0.22 Allowed Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.517 -174.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.75 167.79 0.18 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 124.888 3.725 . . . . 0.0 114.351 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 C--O 1.232 0.182 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.089 -178.38 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.451 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.421 -3.279 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.451 " H5'" HO2' ' B' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.572 -3.128 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.503 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.6 -3.1 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.503 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.689 -3.011 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.626 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 98.988 -3.712 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.667 HO2' " H5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.196 -3.504 . 0.613 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.667 " H5'" HO2' ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.187 -3.513 . 0.42 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.602 HO2' " H5'" ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 111.981 3.781 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.602 " H5'" HO2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.466 -3.234 . 0.177 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C5'-C4'-C3' 110.107 -3.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C3'-C2'-C1' 103.649 2.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 P-O3'-C3' 121.819 1.766 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C3'-C2'-C1' 104.086 2.874 . 0.119 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 O4'-C1'-N19 111.23 3.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.562 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C5'-C4'-C3' 111.936 -2.376 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 1 C5'-C4'-C3' 108.004 -4.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C4'-C3'-C2' 99.767 -2.933 . 0.168 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.344 -3.356 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.541 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.962 -2.738 . 0.727 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.541 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.884 -2.816 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.502 " H5'" HO2' ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.623 -3.077 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.466 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.865 -2.835 . 0.765 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 48.0 tpp . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 119.658 -0.21 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.66 109.31 11.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.74 145.12 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -143.35 134.88 26.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -94.72 148.09 22.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -145.54 164.32 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -111.55 152.67 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.4 114.92 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.531 0.605 . . . . 0.0 110.006 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.88 6.27 11.34 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.684 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -114.71 -176.4 2.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.119 0.96 . . . . 0.0 111.117 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.3 m -145.83 167.79 22.36 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.87 163.09 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.768 1.627 . . . . 0.0 107.363 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -134.67 153.39 52.01 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.376 0.67 . . . . 0.0 111.801 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.77 138.77 28.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.07 -139.61 40.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.1 10.88 5.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.242 0.617 . . . . 0.0 110.617 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -137.13 7.89 2.92 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.374 0.67 . . . . 0.0 112.038 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.81 144.38 37.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 CA-C-N 119.077 0.853 . . . . 0.0 110.721 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -139.81 156.46 46.73 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -135.03 149.09 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -142.04 128.08 19.61 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.74 92.67 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.75 -32.87 74.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.997 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -167.48 34.07 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.608 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.4 162.61 39.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -148.68 83.68 1.47 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.9 -116.17 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 -172.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.417 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.9 mp0 -101.61 0.99 37.28 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -79.31 160.58 26.72 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.28 120.06 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -81.43 119.03 23.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.78 129.01 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.15 150.11 17.67 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 1' ' ' MET . 61.6 mt -135.07 144.86 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -136.2 104.03 5.51 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.6 155.17 56.82 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.855 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.93 150.72 67.56 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.871 2.381 . . . . 0.0 109.867 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -66.67 -1.12 3.4 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 122.316 -0.24 . . . . 0.0 110.414 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.57 -11.73 60.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.423 1.089 . . . . 0.0 110.909 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.34 160.69 31.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.86 0.864 . . . . 0.0 109.698 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.94 157.11 16.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.01 135.05 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -156.97 169.78 24.02 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.911 0.386 . . . . 0.0 111.458 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -71.47 160.26 33.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -68.41 -23.47 64.64 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.58 -6.34 59.42 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.66 0.384 . . . . 0.0 111.668 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.06 -36.05 2.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 123.717 0.807 . . . . 0.0 110.617 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.16 -37.62 69.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 122.479 -0.138 . . . . 0.0 111.109 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -65.39 -20.61 66.45 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.229 0.211 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -85.76 -35.86 20.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.38 -20.67 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -99.9 2.2 43.51 Favored 'General case' 0 C--O 1.23 0.051 0 O-C-N 122.227 -0.296 . . . . 0.0 111.07 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.96 -13.2 60.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.566 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.69 34.0 0.2 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-O 119.452 -0.638 . . . . 0.0 113.634 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -164.52 -165.66 0.98 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.384 1.092 . . . . 0.0 113.658 -168.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -140.91 173.59 11.34 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.671 1.588 . . . . 0.0 107.716 171.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.39 127.4 17.04 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 118.496 0.589 . . . . 0.0 111.284 -175.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -51.4 171.94 0.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 125.004 3.802 . . . . 0.0 114.59 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 123.763 0.825 . . . . 0.0 111.403 178.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.449 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.752 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.449 " H5'" HO2' ' D' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.306 -3.394 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.482 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.539 -3.161 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.482 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.644 -3.056 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.574 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 98.915 -3.785 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.622 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.056 -3.644 . 0.685 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.622 " H5'" HO2' ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 111.863 3.663 OUTLIER-EPSILON 0.348 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.594 HO2' " H5'" ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.757 2 O4'-C1'-N19 112.338 4.138 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . 0.594 " H5'" HO2' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.134 -3.566 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 C5'-C4'-C3' 109.42 -4.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.72 2.52 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 P-O3'-C3' 121.825 1.771 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C3'-C2'-C1' 104.062 2.847 . 0.235 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 110.771 2.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.532 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C5'-C4'-C3' 112.097 -2.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 C5'-C4'-C3' 108.331 -4.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.569 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.78 -2.92 . 0.89 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.569 " H5'" HO2' ' D' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 C4'-C3'-C2' 99.231 -3.469 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.559 " H5'" HO2' ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 100.005 -2.695 . 0.724 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.519 HO2' " H5'" ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.96 -2.74 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.519 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.543 -3.157 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.502 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.783 2.583 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.1 tpp . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.62 110.79 12.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 176.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.73 145.74 7.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.338 0.655 . . . . 0.0 109.536 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.9 mt -141.4 158.99 43.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.04 143.61 48.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.0 mmp_? -145.65 135.02 23.05 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.262 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.9 153.84 30.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 171.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.7 129.73 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.245 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.21 -16.75 29.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.578 0.608 . . . . 0.0 112.46 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -84.59 -179.77 7.21 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.036 0.918 . . . . 0.0 111.334 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -140.66 167.41 22.24 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.9 mm -142.54 165.49 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.314 1.846 . . . . 0.0 107.597 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -138.98 153.33 48.16 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.627 -0.67 . . . . 0.0 112.286 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -143.5 145.37 22.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -140.29 42.92 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.23 10.76 5.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.642 0.777 . . . . 0.0 109.459 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -142.53 9.64 1.81 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.214 0.606 . . . . 0.0 111.864 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.07 145.72 35.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 118.904 0.775 . . . . 0.0 110.75 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -138.51 154.82 48.8 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.478 1.111 . . . . 0.0 108.259 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -135.68 148.23 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.6 m -143.03 124.38 14.67 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -77.7 96.24 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.87 -30.98 68.57 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.982 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.61 -174.01 35.67 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.074 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.39 160.71 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.758 0.279 . . . . 0.0 110.918 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.13 105.97 3.43 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -97.07 0.33 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 7.5 mm-40 -126.51 -0.54 6.87 Favored 'General case' 0 CA--C 1.524 -0.057 0 C-N-CA 123.414 0.685 . . . . 0.0 110.163 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 25.6 mt-30 -74.29 153.94 39.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.51 117.44 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.75 120.2 21.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -122.05 120.14 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.97 148.79 19.19 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.33 144.16 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.23 103.46 5.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.63 155.38 56.64 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.062 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.14 151.91 55.78 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.031 2.487 . . . . 0.0 110.079 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.19 -3.6 2.91 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.363 0.265 . . . . 0.0 110.493 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.04 -11.2 58.54 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.096 0.958 . . . . 0.0 110.905 173.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.45 160.8 31.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.578 0.751 . . . . 0.0 109.55 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.4 157.32 16.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.649 0.261 . . . . 0.0 111.475 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.34 133.93 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -157.59 168.47 27.17 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.626 0.37 . . . . 0.0 111.531 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -70.87 159.37 34.75 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -64.99 -23.68 67.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.616 -0.677 . . . . 0.0 111.001 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -87.11 0.08 55.83 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.853 0.461 . . . . 0.0 112.018 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.8 mm -119.03 -33.85 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 123.622 0.769 . . . . 0.0 109.801 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -56.43 -40.62 75.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.157 -0.339 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.23 -20.65 65.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 122.302 -0.249 . . . . 0.0 111.241 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -86.82 -35.46 19.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.465 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.9 -18.57 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 118.634 0.652 . . . . 0.0 109.489 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -98.92 3.98 47.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.304 0.642 . . . . 0.0 111.319 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.48 -12.1 5.6 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.07 152.02 5.68 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.31 156.55 38.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.243 0.521 . . . . 0.0 110.272 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.3 p -142.05 -0.28 1.32 Allowed 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.751 0.82 . . . . 0.0 110.384 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.23 59.14 2.62 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 110.493 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.94 172.14 0.2 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.487 2.791 . . . . 0.0 113.587 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.884 179.785 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.903 -2.797 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.556 -3.144 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.502 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.542 -3.158 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.502 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 O4'-C1'-N19 111.478 3.278 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 C4'-C3'-C2' 99.009 -3.691 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.764 3.564 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 111.167 2.967 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.495 H5'' ' C4 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.357 -3.429 OUTLIER-DELTA 0.074 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.319 1 C5'-C4'-C3' 109.432 -4.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 111.96 3.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 110.484 2.284 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O5'-C5'-C4' 112.803 1.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C3'-C2'-C1' 104.251 3.057 . 0.135 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 110.96 2.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.573 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C5'-C4'-C3' 112.385 -2.076 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 C5'-C4'-C3' 108.118 -4.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 100.103 -2.597 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.442 -3.258 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 100.122 -2.578 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.595 -3.105 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.486 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.627 -3.073 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.486 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C4'-C3'-C2' 99.911 -2.789 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.57 106.47 10.16 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -83.47 147.16 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -141.11 157.66 44.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -118.49 145.13 45.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -149.96 137.94 20.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.406 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.413 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.8 tptm -82.64 149.42 27.4 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -56.23 139.48 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.686 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 0.48 60.13 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -114.47 -176.52 2.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.401 1.101 . . . . 0.0 110.47 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -139.65 169.33 17.92 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -169.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -144.4 165.41 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.441 1.897 . . . . 0.0 107.483 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.27 153.78 50.26 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.492 0.587 . . . . 0.0 112.448 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.09 145.66 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.226 1.01 . . . . 0.0 108.519 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 -142.06 38.19 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.04 10.53 5.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.7 0.8 . . . . 0.0 109.6 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.39 8.97 2.03 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.79 0.836 . . . . 0.0 111.854 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.59 146.92 33.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 119.155 0.889 . . . . 0.0 111.067 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -138.08 155.1 49.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.303 1.041 . . . . 0.0 108.352 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.54 146.67 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.6 m -140.85 122.42 15.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.58 90.01 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.5 -30.84 71.66 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.436 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.24 -172.46 35.93 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.337 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.91 160.65 38.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -150.12 105.6 3.39 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -96.63 0.35 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -126.06 0.29 7.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.238 0.615 . . . . 0.0 110.641 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.74 160.09 32.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.25 119.68 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -80.86 119.38 23.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.41 120.07 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.39 149.51 19.36 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.5 mt -136.33 144.83 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -135.27 104.24 5.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.19 154.4 53.98 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.022 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.93 151.83 62.74 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.293 2.662 . . . . 0.0 110.321 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.539 ' HZ3' ' HB3' ' C' ' 38' ' ' LYS . 4.6 mmmp? -65.31 -2.71 3.3 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 122.21 -0.306 . . . . 0.0 110.636 175.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.42 -11.72 58.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.316 1.047 . . . . 0.0 110.684 173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.17 160.79 32.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 123.766 0.826 . . . . 0.0 109.862 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.18 16.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 134.59 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -157.21 171.1 21.04 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.28 0.232 . . . . 0.0 111.175 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -72.53 158.72 35.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.67 -23.32 67.22 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.037 0.381 . . . . 0.0 110.63 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.63 -3.73 58.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.24 0.616 . . . . 0.0 112.399 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -117.79 -34.59 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 123.907 0.883 . . . . 0.0 110.031 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.23 -37.84 70.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.014 -0.429 . . . . 0.0 110.885 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -64.97 -21.39 66.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.451 -0.155 . . . . 0.0 110.973 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -85.38 -32.22 22.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.436 0.294 . . . . 0.0 111.453 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.404 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.5 mp -64.88 -18.52 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -105.37 2.79 29.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.575 0.75 . . . . 0.0 112.396 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.55 -11.36 13.6 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.73 -0.74 2.48 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.055 0.843 . . . . 0.0 113.237 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.0 mm? 63.12 163.57 0.11 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.337 1.455 . . . . 0.0 112.866 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -148.34 6.06 0.74 Allowed 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.9 1.28 . . . . 0.0 109.884 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.56 62.42 7.01 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.178 0.991 . . . . 0.0 110.391 -176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -53.71 -171.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 124.655 3.57 . . . . 0.0 115.457 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.593 -175.147 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C5'-C4'-C3' 111.409 -2.727 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.4 -3.3 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.5 -3.2 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.76 -2.94 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 98.943 -3.757 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.631 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 99.039 -3.661 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.661 HO2' " H5'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 111.935 3.735 . 0.338 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.661 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.874 3.674 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 C5'-C4'-C3' 108.112 -4.925 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.751 3.551 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C5'-C4'-C3' 111.271 -2.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O5'-C5'-C4' 113.024 2.017 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 0 C3'-C2'-C1' 104.306 3.117 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.479 3.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.527 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C5'-C4'-C3' 111.866 -2.423 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C5'-C4'-C3' 108.655 -4.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.521 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C4'-C3'-C2' 99.653 -3.047 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.547 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.255 -3.445 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.572 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.974 -2.726 . 0.703 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.572 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.614 -3.086 . 0.744 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.466 HO2' " H5'" ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 99.668 -3.032 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.466 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.915 -2.785 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.742 -0.096 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 112.0 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.31 143.85 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.82 134.41 28.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -90.3 148.29 22.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -150.71 138.6 19.96 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.265 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.4 tptm -86.55 150.26 24.37 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.7 m -57.55 134.15 22.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.531 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.96 55.02 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.371 -0.683 . . . . 0.0 112.953 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -114.81 -176.14 2.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.356 1.078 . . . . 0.0 110.856 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -139.61 169.52 17.59 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -144.75 165.62 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.149 1.779 . . . . 0.0 107.413 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.04 153.9 49.32 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.797 0.726 . . . . 0.0 112.539 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.34 143.32 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -141.71 32.2 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.18 13.14 5.64 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.441 0.696 . . . . 0.0 109.981 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -138.27 6.65 2.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.625 0.77 . . . . 0.0 111.86 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.87 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 CA-C-N 118.82 0.736 . . . . 0.0 110.417 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -138.55 154.99 48.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -134.99 148.99 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -140.11 150.04 43.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.23 90.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -65.57 -34.29 77.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.337 -173.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.21 -173.57 37.66 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.088 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.46 161.55 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 C-N-CA 122.773 0.429 . . . . 0.0 110.693 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -150.55 106.99 3.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.36 -102.91 0.79 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 4.8 mm-40 -120.34 0.43 10.58 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.078 0.551 . . . . 0.0 110.511 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 26.7 mt-30 -73.83 154.49 39.47 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.49 119.56 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' NE ' ' H62' ' D' ' 12' ' ' ' A' . 47.9 mtt85 -80.95 120.63 25.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 169.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 mt -120.37 140.68 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.17 18.01 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -137.17 145.23 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.27 104.57 5.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.07 155.68 55.0 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 123.767 0.827 . . . . 0.0 109.599 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.45 151.22 65.02 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.063 2.508 . . . . 0.0 110.317 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.84 -1.86 2.22 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.83 -10.88 59.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.006 0.923 . . . . 0.0 110.911 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.44 160.4 31.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.632 0.773 . . . . 0.0 109.513 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.62 156.76 16.9 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -153.79 134.39 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -157.42 164.89 37.01 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpt85 -66.69 152.11 46.06 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.95 -23.55 65.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.333 0.515 . . . . 0.0 112.244 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.5 -11.55 55.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.421 0.555 . . . . 0.0 111.849 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 mm -104.19 -35.14 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.814 0.845 . . . . 0.0 109.848 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -57.16 -40.78 77.96 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.555 -0.716 . . . . 0.0 110.861 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.72 -20.55 65.82 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.335 -0.228 . . . . 0.0 110.963 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.426 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 39.9 ttm180 -84.0 -37.92 21.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.322 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -61.91 -18.74 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.646 0.657 . . . . 0.0 109.288 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -100.72 5.5 43.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.531 0.732 . . . . 0.0 111.061 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.38 -14.97 3.7 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.21 150.68 5.77 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HA ' ' H41' ' D' ' 7' ' ' ' C' . 2.9 mm? -125.98 147.6 49.48 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 117.549 0.674 . . . . 0.0 111.547 -170.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -144.97 1.36 0.98 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.865 1.266 . . . . 0.0 109.905 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.96 58.3 2.83 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 124.152 0.981 . . . . 0.0 110.415 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.02 -32.43 13.03 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.088 3.192 . . . . 0.0 114.401 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.454 -0.25 0 C-N-CA 122.722 0.409 . . . . 0.0 110.929 -177.569 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.401 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 111.335 -2.777 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.476 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 99.352 -3.348 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.476 " H5'" HO2' ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.596 -3.104 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.544 -3.156 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 98.93 -3.77 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 111.775 3.575 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.542 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 98.818 -3.882 . 0.394 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.569 HO2' " H5'" ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 111.935 3.735 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.569 " H5'" HO2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 98.85 -3.85 . 0.127 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 P-O3'-C3' 122.351 2.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 P-O3'-C3' 122.421 2.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C3'-C2'-C1' 104.301 3.112 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 110.628 2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.559 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 C5'-C4'-C3' 111.687 -2.542 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C5'-C4'-C3' 108.296 -4.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.555 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.861 -2.839 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.555 " H5'" HO2' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C4'-C3'-C2' 99.218 -3.482 . 0.755 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.542 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.953 -2.747 . 0.722 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.542 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.727 -2.973 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.513 " H5'" HO2' ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.745 -2.955 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.501 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.854 -2.846 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.401 ' O ' " H4'" ' D' ' 9' ' ' ' G' . 48.6 tpp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.18 109.64 11.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 144.41 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -142.74 135.08 27.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.7 p -92.47 149.77 21.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.426 HH21 ' HB ' ' C' ' 22' ' ' ILE . 21.5 ttp180 -148.68 164.18 35.11 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.465 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.9 tptm -121.63 149.07 43.72 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 m -53.33 129.48 14.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.927 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.07 2.45 36.15 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.992 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -116.89 -171.32 2.0 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.78 1.29 . . . . 0.0 112.444 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -148.85 171.2 16.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.419 HG13 ' HD3' ' C' ' 6' ' ' ARG . 41.5 mt -145.0 165.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.053 2.141 . . . . 0.0 107.08 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -130.58 153.55 48.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.691 -0.63 . . . . 0.0 111.512 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -144.01 140.65 25.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -138.04 43.63 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -130.94 10.58 5.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.48 0.712 . . . . 0.0 109.515 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.55 8.5 2.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.336 0.654 . . . . 0.0 112.141 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.62 144.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.784 0.72 . . . . 0.0 110.087 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -140.11 153.9 46.85 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -132.46 149.41 32.21 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -140.56 153.86 46.28 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 122.687 0.395 . . . . 0.0 110.064 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.426 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -111.69 92.22 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -30.11 70.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.19 -170.73 35.0 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.664 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.08 162.43 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 CA-C-O 121.054 0.454 . . . . 0.0 110.177 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -147.31 80.77 1.52 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.58 -117.43 5.2 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -171.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.02 -1.89 38.63 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 117.043 0.422 . . . . 0.0 110.017 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.407 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.1 mt-30 -80.43 155.82 26.92 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -142.93 118.66 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -78.42 117.79 19.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -117.1 138.76 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.41 149.86 18.56 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.7 mt -135.85 144.94 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -135.57 102.45 5.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.39 153.74 52.32 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.369 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.42 152.15 65.72 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.899 2.399 . . . . 0.0 110.14 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.4 -2.7 3.42 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.61 -11.72 58.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.949 0.9 . . . . 0.0 110.892 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.05 160.28 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.611 0.764 . . . . 0.0 109.327 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.73 156.74 17.16 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.32 131.68 2.74 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -157.26 164.74 37.36 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 122.792 0.437 . . . . 0.0 110.691 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -72.8 165.39 24.95 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.01 -33.41 70.69 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.12 -53.52 48.21 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 121.701 -0.624 . . . . 0.0 111.003 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.22 -31.63 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.811 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -55.31 -40.74 71.47 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.014 0.37 . . . . 0.0 111.143 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.54 -20.82 66.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.285 -0.259 . . . . 0.0 111.28 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -85.82 -33.23 21.4 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.327 0.251 . . . . 0.0 111.655 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.21 -18.39 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -105.16 3.98 30.82 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.509 0.724 . . . . 0.0 111.933 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.12 -10.52 13.88 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.82 -1.19 2.83 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-N 119.16 0.891 . . . . 0.0 113.176 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 161.9 0.1 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.381 1.473 . . . . 0.0 112.685 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -148.86 2.86 0.61 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.494 1.117 . . . . 0.0 110.028 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.428 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -148.12 51.18 0.99 Allowed Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 123.562 0.745 . . . . 0.0 111.589 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 89.1 Cg_exo -47.15 -35.45 19.67 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.404 2.736 . . . . 0.0 114.546 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 CA--C 1.53 0.207 0 C-N-CA 122.576 0.35 . . . . 0.0 111.155 -175.42 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 N19-C1'-C2' 109.021 -2.737 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.597 -3.103 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.672 -3.028 . 0.783 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.496 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.379 -3.321 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.588 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 98.885 -3.815 . 0.654 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.632 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 98.877 -3.823 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.632 " H5'" HO2' ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.085 -3.615 . 0.321 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C3'-C2'-C1' 104.188 2.987 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 107.355 -5.43 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.452 ' H41' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C5'-C4'-C3' 109.422 -4.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 110.576 2.376 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . 0.401 " H4'" ' O ' ' C' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 P-O3'-C3' 122.005 1.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.456 3.284 . 0.181 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-C3' 111.089 -2.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.411 ' H62' ' NE ' ' A' ' 31' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 N19-C1'-C2' 109.821 -2.237 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 C5'-C4'-C3' 108.317 -4.789 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.988 -2.712 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.543 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.529 -3.171 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.551 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.862 -2.838 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.551 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.728 -2.972 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.505 HO2' " H5'" ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.731 -2.969 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.505 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 100.066 -2.634 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.31 110.27 12.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.54 147.1 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -140.96 155.18 46.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.95 141.52 48.59 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -150.45 165.05 34.35 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.585 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.9 tptm -108.93 150.84 27.12 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 m -54.54 126.62 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 118.064 0.393 . . . . 0.0 110.347 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.39 -6.98 24.74 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.074 -0.848 . . . . 0.0 113.274 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -101.89 -179.06 3.89 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.755 1.278 . . . . 0.0 112.522 -176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -138.5 166.64 23.77 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mt -143.3 165.64 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.422 1.889 . . . . 0.0 107.884 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -134.63 153.47 51.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.394 0.678 . . . . 0.0 112.156 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -143.15 143.17 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.51 -138.94 42.97 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.18 10.62 5.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.095 0.558 . . . . 0.0 109.799 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.63 8.95 2.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.334 0.654 . . . . 0.0 111.9 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.58 145.75 35.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 119.108 0.867 . . . . 0.0 110.53 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.4 m -138.17 155.48 48.66 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -134.2 149.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.4 m -139.74 153.27 47.15 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.756 0.423 . . . . 0.0 110.157 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -112.97 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.83 -30.35 71.45 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.931 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.41 -170.43 34.53 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.693 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -132.93 161.58 41.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -150.07 98.15 2.66 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.67 -113.91 6.03 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -106.0 0.03 25.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.12 0.46 . . . . 0.0 110.329 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -78.05 160.5 28.08 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 109.635 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.1 t -141.95 117.37 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -79.18 108.92 13.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -105.17 146.02 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.68 148.85 16.83 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.8 mt -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -136.78 101.91 4.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 155.73 60.35 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.326 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.13 153.0 51.52 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.176 2.584 . . . . 0.0 110.067 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HB3' ' HZ1' ' A' ' 38' ' ' LYS . 4.2 mmmp? -65.96 -4.23 6.67 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.32 -0.237 . . . . 0.0 110.863 176.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.94 -9.2 43.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.067 0.947 . . . . 0.0 110.982 171.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -138.67 160.62 30.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 123.564 0.746 . . . . 0.0 109.901 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.32 156.73 17.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.002 0.43 . . . . 0.0 111.793 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.03 135.61 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -157.61 169.22 25.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.823 0.449 . . . . 0.0 111.256 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm-85 -70.92 163.7 26.92 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -65.43 -23.83 67.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.995 -0.441 . . . . 0.0 111.296 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.2 -48.66 41.42 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 121.318 0.58 . . . . 0.0 109.991 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.2 mm -76.27 -33.67 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.008 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -56.2 -41.34 75.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.483 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 122.361 -0.212 . . . . 0.0 111.056 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -80.57 -38.86 28.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.222 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.45 -18.26 22.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -101.08 3.06 40.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.533 0.733 . . . . 0.0 111.883 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.33 -32.17 4.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.725 0.41 . . . . 0.0 111.94 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 147.87 153.49 5.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' CB ' ' H41' ' D' ' 7' ' ' ' C' . 0.0 OUTLIER -159.66 177.22 11.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.681 -176.16 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 p -136.53 17.41 3.12 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.351 1.06 . . . . 0.0 110.008 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -142.17 58.28 7.63 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 123.9 0.88 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 68.3 Cg_exo -52.35 167.38 0.55 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.444 2.762 . . . . 0.0 114.127 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.029 179.03 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 111.367 -2.756 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.461 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.594 -3.106 . 0.851 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.488 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.426 -3.274 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.488 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.437 -3.263 . 0.802 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.598 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 98.746 -3.954 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.598 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 98.843 -3.857 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.635 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.848 3.648 . 0.367 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.635 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.164 2.964 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.413 " H3'" ' C8 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C5'-C4'-C3' 109.579 -3.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.448 ' H41' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 100.478 -2.222 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O5'-C5'-C4' 112.987 1.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C3'-C2'-C1' 104.288 3.098 . 0.095 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 111.225 3.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.565 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C5'-C4'-C3' 111.522 -2.652 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 C5'-C4'-C3' 108.44 -4.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.755 -2.945 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.318 -3.382 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.536 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 100.041 -2.659 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.536 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 C4'-C3'-C2' 99.66 -3.04 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.49 " H5'" HO2' ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 C4'-C3'-C2' 99.421 -3.279 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 100.029 -2.671 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.842 -0.059 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 105.08 8.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 173.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -78.96 145.2 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.33 134.27 25.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.0 p -94.55 143.32 26.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -147.45 135.48 21.34 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.24 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.445 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 3.8 tptm -83.75 149.04 26.7 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -56.49 132.08 20.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.28 0.85 44.24 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.69 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -115.51 -175.75 2.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.545 1.172 . . . . 0.0 111.039 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -141.25 169.3 17.86 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.38 165.93 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 126.514 1.926 . . . . 0.0 107.41 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -138.59 154.23 48.7 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.403 -0.811 . . . . 0.0 112.906 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -141.31 143.04 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.29 -141.03 31.3 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -130.03 11.22 5.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.553 0.741 . . . . 0.0 110.221 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -136.78 8.28 3.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.594 0.757 . . . . 0.0 111.733 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 146.59 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 CA-C-N 118.951 0.796 . . . . 0.0 110.865 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.22 154.96 49.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.51 148.93 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.8 m -141.23 149.29 41.18 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -111.15 91.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.52 -32.46 73.82 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.229 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.97 -171.73 36.35 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.739 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.34 162.14 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -146.78 81.81 1.56 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.09 -115.09 4.37 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -171.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -100.9 -2.39 32.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.435 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.5 mt-30 -78.08 154.62 31.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.37 123.4 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . 0.479 ' HD3' ' H62' ' B' ' 12' ' ' ' A' . 30.3 mtm180 -85.24 120.81 27.14 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 170.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -121.91 140.88 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.71 150.16 18.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 1' ' ' MET . 73.7 mt -136.6 145.12 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -136.72 105.39 5.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.52 155.36 60.55 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.88 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.52 150.08 74.95 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.533 2.155 . . . . 0.0 109.79 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -65.53 -1.83 2.91 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.325 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.31 -12.09 60.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.176 0.991 . . . . 0.0 110.961 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.58 160.65 34.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.564 0.746 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.08 157.1 16.58 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 111.622 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.5 129.32 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -157.21 163.14 39.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 122.745 0.418 . . . . 0.0 110.338 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -73.38 163.06 28.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 172.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.47 -38.98 78.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.53 -11.3 60.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -102.66 -32.87 3.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -55.46 -42.83 74.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.912 0.324 . . . . 0.0 111.073 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.82 -20.79 66.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 121.452 -0.099 . . . . 0.0 111.057 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.2 -37.4 23.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.059 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.33 -18.74 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 118.837 0.744 . . . . 0.0 109.174 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -100.5 4.1 43.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.186 0.594 . . . . 0.0 111.22 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.34 -13.55 4.37 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.74 152.71 6.22 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.448 ' HA ' ' H41' ' B' ' 7' ' ' ' C' . 2.8 mm? -125.36 141.48 52.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.734 0.767 . . . . 0.0 111.053 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 50.1 p -143.5 -0.88 1.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 109.885 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.23 64.58 4.68 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 124.28 1.032 . . . . 0.0 109.223 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.27 170.91 0.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 124.694 3.596 . . . . 0.0 114.598 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.982 0.913 . . . . 0.0 112.547 -179.093 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.414 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C5'-C4'-C3' 111.205 -2.864 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.414 " H5'" HO2' ' D' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.176 -3.524 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.546 -3.154 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.478 -3.222 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.589 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.016 -3.684 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.596 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.876 3.676 . 0.652 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.596 " H5'" HO2' ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 112.077 3.877 . 0.382 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 111.631 3.431 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.346 1 C5'-C4'-C3' 108.912 -4.392 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.432 ' H41' ' CB ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 110.095 -3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C5'-C4'-C3' 111.341 -2.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O5'-C5'-C4' 113.033 2.024 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 104.204 3.005 . 0.221 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 110.979 2.779 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C5'-C4'-C3' 109.51 -3.993 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.223 -3.477 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.679 -3.021 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.362 -3.338 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.586 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 100.063 -2.637 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.586 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.791 -2.909 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.506 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.48 -3.22 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.471 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.93 -2.77 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 50.3 tpp . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 119.865 -0.112 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.75 112.97 13.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.55 143.9 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.165 0.586 . . . . 0.0 109.691 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.61 134.84 27.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 p -95.59 144.26 26.19 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.401 ' HD2' ' CD1' ' A' ' 12' ' ' ILE . 4.1 mmp_? -146.15 135.22 22.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.093 0.557 . . . . 0.0 110.341 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.42 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.3 tptm -80.39 155.59 27.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 170.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 m -57.87 140.26 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.221 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.15 -15.07 61.94 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.544 0.592 . . . . 0.0 112.323 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.63 -178.63 7.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.893 0.846 . . . . 0.0 111.032 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.3 m -142.65 166.49 24.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.401 ' CD1' ' HD2' ' A' ' 6' ' ' ARG . 27.8 mm -142.69 165.06 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.384 1.873 . . . . 0.0 107.303 -176.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.29 153.68 46.55 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 118.604 0.638 . . . . 0.0 111.926 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -142.88 144.92 23.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.08 36.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -130.22 11.14 5.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.392 0.677 . . . . 0.0 109.685 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -139.07 8.97 2.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -131.48 145.4 35.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 119.07 0.85 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -138.48 154.48 48.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -135.71 148.92 27.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.7 m -144.24 125.89 15.07 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.33 93.27 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -64.72 -34.6 78.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.924 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.61 -171.36 36.75 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.669 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.38 160.73 42.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 122.723 0.409 . . . . 0.0 110.306 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -148.66 98.45 2.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.65 -96.47 0.36 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -172.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.2 mp0 -121.57 -2.77 9.37 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.381 0.673 . . . . 0.0 110.602 177.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' OE1' ' C5 ' ' D' ' 3' ' ' ' U' . 25.6 mt-30 -76.86 158.37 30.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -143.12 118.55 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -81.31 123.36 28.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.43 128.11 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.03 149.83 16.89 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.1 mt -135.98 144.97 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -135.68 103.44 5.43 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.69 155.07 56.55 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.99 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.57 151.39 70.13 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.088 2.526 . . . . 0.0 109.597 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -66.86 -1.34 3.84 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.214 -0.304 . . . . 0.0 110.298 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.07 -11.72 59.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.116 0.966 . . . . 0.0 110.994 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.47 161.07 31.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.937 0.895 . . . . 0.0 109.531 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.12 157.47 16.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.644 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.95 132.12 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -157.47 165.77 34.76 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -63.5 156.32 26.67 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 168.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.38 -23.71 67.04 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 122.117 -0.364 . . . . 0.0 110.909 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.06 -8.72 58.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.92 -34.19 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.443 0.697 . . . . 0.0 109.72 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -57.38 -37.65 72.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.823 0.283 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -65.42 -21.79 66.7 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.43 -36.9 23.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.361 0.264 . . . . 0.0 111.175 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.85 -17.94 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -102.04 2.68 37.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.546 0.738 . . . . 0.0 111.339 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.17 -31.45 5.33 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.73 152.39 5.7 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.51 172.59 13.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.993 0.517 . . . . 0.0 111.21 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.2 p -142.72 5.38 1.57 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.881 0.872 . . . . 0.0 111.316 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -63.68 -34.77 13.42 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 51.4 Cg_exo -55.86 177.39 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.61 2.874 . . . . 0.0 113.779 174.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 123.669 0.788 . . . . 0.0 111.415 179.051 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.96 -2.74 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.491 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.253 -3.447 . 0.82 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.491 " H5'" HO2' ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.478 -3.222 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.488 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 O4'-C1'-N19 111.36 3.16 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 98.932 -3.768 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.626 HO2' " H5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.791 -3.909 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.626 " H5'" HO2' ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.162 -3.538 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.612 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 O4'-C1'-N19 111.864 3.664 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.565 " H5'" HO2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 98.82 -3.88 . 0.105 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.471 3.271 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 P-O3'-C3' 122.383 2.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O5'-C5'-C4' 113.246 2.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 104.286 3.095 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 110.821 2.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.543 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-C3' 112.365 -2.09 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C5'-C4'-C3' 111.264 -2.824 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 100.15 -2.55 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.555 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.388 -3.312 . 0.832 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.561 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.791 -2.909 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.561 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.555 -3.145 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.525 " H5'" HO2' ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.625 -3.075 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.481 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C4'-C3'-C2' 100.158 -2.542 . 0.759 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.401 ' O ' " H4'" ' D' ' 9' ' ' ' G' . 51.1 tpp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -129.13 112.78 14.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.04 143.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.53 134.76 31.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.401 ' CG2' ' H61' ' D' ' 12' ' ' ' A' . 23.6 p -86.01 156.53 20.4 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.424 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.1 ttp180 -150.49 161.88 41.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.401 ' HE2' ' CB ' ' A' ' 28' ' ' GLN . 12.9 tptm -124.59 148.01 48.12 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.24 122.88 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 118.736 0.698 . . . . 0.0 109.928 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.73 0.38 23.06 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.402 -0.666 . . . . 0.0 113.123 -178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -110.94 -169.37 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.285 1.042 . . . . 0.0 111.773 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -152.28 169.92 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.148 0.979 . . . . 0.0 111.609 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.424 HG13 ' HD3' ' C' ' 6' ' ' ARG . 52.5 mt -144.74 164.94 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.026 1.73 . . . . 0.0 107.561 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -133.59 153.31 51.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.1 0.476 . . . . 0.0 111.675 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -144.71 143.57 22.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.95 43.6 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -129.92 10.65 5.51 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.522 0.729 . . . . 0.0 109.907 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.68 9.17 1.98 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.21 0.604 . . . . 0.0 112.42 -175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.48 145.11 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.942 0.792 . . . . 0.0 111.198 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -139.15 153.68 47.98 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 108.095 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -132.98 149.72 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -139.35 153.58 47.71 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.477 0.311 . . . . 0.0 110.302 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -112.06 93.11 2.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 C-N-CA 123.611 0.764 . . . . 0.0 109.146 177.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.43 -31.95 73.02 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.594 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -171.07 34.2 Favored Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.54 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.66 161.73 39.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 CA-C-N 116.924 0.362 . . . . 0.0 110.492 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.6 m -149.78 106.0 3.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -96.9 0.33 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 9.2 mm-40 -125.65 -0.74 7.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.062 0.545 . . . . 0.0 110.669 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.42 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 26.2 mt-30 -73.33 154.84 39.94 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 172.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.75 117.39 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -80.62 116.04 20.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 171.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -114.13 140.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 149.84 18.68 Favored Glycine 0 C--N 1.331 0.286 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 75.7 mt -135.6 145.36 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -135.41 102.61 5.2 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.13 53.61 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.047 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.32 152.56 55.51 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.059 2.506 . . . . 0.0 110.482 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.96 -5.33 5.94 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 122.291 -0.255 . . . . 0.0 110.43 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.71 -9.08 40.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.066 0.946 . . . . 0.0 111.259 172.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.1 160.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.522 0.729 . . . . 0.0 109.743 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.07 156.19 17.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.51 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.39 134.88 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -157.28 169.87 23.76 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 122.997 0.519 . . . . 0.0 110.584 -176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.471 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.3 ptp85 -79.39 165.8 22.72 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.26 -24.04 66.1 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.471 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.0 tp10 -72.17 -51.06 23.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.628 0.649 . . . . 0.0 110.606 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.44 -31.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.888 -172.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.56 -41.6 77.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.178 0.444 . . . . 0.0 110.613 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.42 -21.05 66.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.981 -0.1 . . . . 0.0 111.058 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.15 -37.6 20.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.91 -18.73 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 118.541 0.61 . . . . 0.0 109.45 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -99.71 3.63 45.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.914 0.486 . . . . 0.0 111.179 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.12 -12.25 5.79 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.83 151.93 5.76 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -126.05 160.88 28.89 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.122 0.486 . . . . 0.0 110.547 -173.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -148.53 -0.53 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.649 0.78 . . . . 0.0 110.181 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.436 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -150.73 55.09 1.61 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 77.3 Cg_exo -51.59 167.62 0.39 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.163 2.575 . . . . 0.0 113.599 178.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.233 0.201 0 C-N-CA 123.352 0.661 . . . . 0.0 112.43 -178.341 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 N19-C1'-C2' 109.189 -2.632 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.467 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.419 -3.281 . 0.862 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.514 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.557 -3.143 . 0.813 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.514 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 98.988 -3.712 . 0.812 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.211 -3.489 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.417 ' C5 ' ' OE1' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.257 -3.443 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 112.135 3.935 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C3'-C2'-C1' 104.224 3.026 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.379 1 C5'-C4'-C3' 107.572 -5.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 1 C5'-C4'-C3' 109.241 -4.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C3'-C2'-C1' 103.705 2.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . 0.401 " H4'" ' O ' ' C' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 P-O3'-C3' 122.185 2.071 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C3'-C2'-C1' 104.312 3.124 . 0.175 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.451 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 109.542 -3.972 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C4'-C3'-C2' 99.129 -3.571 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.531 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.138 -3.562 . 0.867 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.531 " H5'" HO2' ' D' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.154 -3.546 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.553 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 C4'-C3'-C2' 99.9 -2.8 . 0.714 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.553 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 100.023 -2.677 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.519 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.614 -3.086 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.474 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.972 -2.728 . 0.781 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 110.79 13.39 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.4 145.92 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.145 0 C-N-CA 123.32 0.648 . . . . 0.0 109.53 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -141.37 157.49 45.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -120.58 138.21 54.0 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -144.53 134.6 24.04 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.796 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -79.43 156.06 28.05 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.28 131.35 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.356 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 -14.52 42.35 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.616 -0.546 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -87.43 -179.72 6.42 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.346 1.073 . . . . 0.0 110.735 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -142.49 167.18 22.71 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -142.71 165.03 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.496 1.918 . . . . 0.0 107.508 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -139.14 153.69 47.99 Favored 'General case' 0 C--N 1.338 0.083 0 O-C-N 121.677 -0.639 . . . . 0.0 112.159 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.77 144.02 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.83 -141.63 32.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.0 12.22 5.65 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.506 0.722 . . . . 0.0 110.133 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -137.92 7.48 2.71 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.855 0.862 . . . . 0.0 111.773 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.83 146.06 34.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.127 0.876 . . . . 0.0 110.914 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -139.04 156.68 47.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.77 147.96 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.6 m -143.65 127.06 16.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -79.73 95.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.2 mt -69.18 -30.44 68.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.961 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.26 -172.07 35.87 Favored Glycine 0 C--N 1.34 0.775 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.652 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -133.65 163.07 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.025 0.441 . . . . 0.0 110.372 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -146.69 79.38 1.52 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.57 -114.24 4.05 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 107.878 -2.089 . . . . 0.0 107.878 -172.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -100.82 -2.35 32.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.971 0.385 . . . . 0.0 110.297 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.441 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 25.8 mt-30 -78.71 153.3 31.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -141.85 118.98 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' NE ' ' H62' ' D' ' 12' ' ' ' A' . 51.3 mtt85 -77.92 118.5 20.28 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 170.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -120.85 121.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.4 149.14 19.23 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -133.34 144.99 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -137.75 102.95 4.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.75 57.95 Favored Pre-proline 0 N--CA 1.449 -0.478 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.14 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.03 151.49 67.54 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.922 2.415 . . . . 0.0 109.839 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -66.6 -1.41 3.67 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.546 0.212 . . . . 0.0 110.538 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.92 -10.63 58.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 110.824 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.92 160.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.877 0.871 . . . . 0.0 109.603 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.27 157.35 16.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.856 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.05 133.19 3.9 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -157.09 167.61 29.91 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.68 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -70.65 162.1 29.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -67.22 -23.59 65.74 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.347 -0.221 . . . . 0.0 110.665 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.67 -5.78 59.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 111.96 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -116.94 -33.35 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 123.93 0.892 . . . . 0.0 110.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.43 -37.1 69.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 117.756 0.253 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.99 -21.21 66.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.505 -0.122 . . . . 0.0 111.132 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -87.16 -35.97 18.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.552 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.42 -17.63 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -101.49 4.25 41.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.702 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -122.17 -32.78 3.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.863 0.465 . . . . 0.0 112.114 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.34 151.23 5.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.35 174.72 11.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.611 0.364 . . . . 0.0 111.241 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 t -154.38 20.54 0.48 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.277 0.631 . . . . 0.0 110.581 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.574 ' H ' ' CD ' ' A' ' 58' ' ' PRO . . . -127.13 -19.59 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -172.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.574 ' CD ' ' H ' ' A' ' 57' ' ' ALA . 76.9 Cg_exo -52.51 167.43 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.26 1.973 . . . . 0.0 113.995 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t0 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.697 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.747 -2.953 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.477 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 C4'-C3'-C2' 99.386 -3.314 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.477 " H5'" HO2' ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.48 -3.22 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.294 3.094 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 99.024 -3.676 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.415 -3.285 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.706 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C4'-C3'-C2' 99.658 -3.042 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.706 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 112.287 4.087 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.553 " H5'" HO2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.346 -3.354 . 0.044 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 111.861 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C5'-C4'-C3' 111.789 -2.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 O5'-C5'-C4' 112.924 1.946 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C3'-C2'-C1' 104.374 3.194 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 111.185 2.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.567 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C5'-C4'-C3' 111.708 -2.528 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 1 C5'-C4'-C3' 107.793 -5.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C4'-C3'-C2' 99.634 -3.066 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.358 -3.342 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.893 -2.807 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.854 -2.846 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.493 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.568 -3.132 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.493 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 100.114 -2.586 . 0.782 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.35 103.22 7.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.32 146.08 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.56 158.56 43.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.3 p -121.84 145.0 48.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.48 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 1.6 tpt180 -147.68 155.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.289 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.441 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 7.4 tptm -98.44 150.63 21.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.09 132.23 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 118.417 0.553 . . . . 0.0 110.291 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.42 35.86 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.645 -0.53 . . . . 0.0 112.551 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . 0.48 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 50.9 mm-40 -106.46 -176.66 3.14 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.125 0.963 . . . . 0.0 111.537 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -139.35 169.9 16.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -146.56 165.82 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.121 1.768 . . . . 0.0 107.211 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -135.64 153.43 51.63 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 119.043 0.838 . . . . 0.0 112.662 -174.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -144.65 144.0 22.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 108.68 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -141.19 38.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.71 10.63 6.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.36 0.664 . . . . 0.0 109.903 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.19 9.38 1.88 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.423 0.689 . . . . 0.0 111.918 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.95 146.5 33.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 CA-C-N 118.777 0.717 . . . . 0.0 110.752 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -140.34 155.33 46.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.62 149.54 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.4 m -142.21 121.1 12.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -77.46 91.46 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.4 mt -67.54 -32.01 72.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.54 -169.54 35.63 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.68 165.88 28.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 122.51 0.324 . . . . 0.0 110.631 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -151.4 102.84 2.94 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.14 -95.93 0.3 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -172.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -124.46 1.6 8.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.406 0.683 . . . . 0.0 110.577 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.482 HE22 ' N4 ' ' B' ' 4' ' ' ' C' . 58.4 mt-30 -71.64 160.78 32.06 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -140.6 119.66 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -80.12 119.89 23.53 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -120.82 121.19 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.91 150.16 19.61 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -136.3 144.75 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -135.04 104.19 5.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.54 155.01 53.28 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.4 152.49 60.69 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.116 2.544 . . . . 0.0 110.471 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.552 ' HZ2' ' HB3' ' C' ' 38' ' ' LYS . 4.5 mmmp? -66.21 -2.18 4.03 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 122.38 -0.2 . . . . 0.0 110.667 175.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.82 -11.47 58.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.917 0.887 . . . . 0.0 110.653 172.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.41 160.93 31.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 109.868 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.64 157.43 16.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 122.395 0.278 . . . . 0.0 111.601 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.99 134.02 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -156.5 169.59 24.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.718 0.407 . . . . 0.0 111.484 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -71.94 158.78 35.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.66 -23.28 67.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.912 -0.492 . . . . 0.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 -2.15 57.82 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.734 0.813 . . . . 0.0 111.967 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.07 -35.52 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 C-N-CA 123.776 0.83 . . . . 0.0 109.618 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.26 -38.08 68.08 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.088 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -65.23 -20.73 66.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.331 -0.23 . . . . 0.0 111.164 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.02 -31.74 20.39 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.958 0.503 . . . . 0.0 111.377 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.474 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.2 mp -65.69 -17.93 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -105.43 11.22 32.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.584 0.753 . . . . 0.0 111.878 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.64 4.2 17.07 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -168.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.38 6.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 120.121 1.328 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' C' ' 51' ' ' ILE . 0.3 OUTLIER -53.72 -179.32 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.158 2.183 . . . . 0.0 115.547 -177.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -140.5 17.34 2.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.452 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -136.13 39.88 0.47 Allowed Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 83.4 Cg_exo -48.71 -29.44 14.54 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.621 2.214 . . . . 0.0 113.647 175.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 123.563 0.745 . . . . 0.0 109.279 -174.46 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 N19-C1'-C2' 108.981 -2.762 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.472 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.05 -3.65 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.472 " H5'" HO2' ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.579 -3.121 . 0.8 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.325 -3.375 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.541 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 98.825 -3.875 . 0.746 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.541 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 98.976 -3.724 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.632 HO2' " H5'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.607 3.407 . 0.346 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.632 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 O4'-C1'-N19 111.999 3.799 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . 0.587 " H5'" HO2' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.261 -3.439 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 C5'-C4'-C3' 110.644 -3.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 110.62 2.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C4'-C3' 107.918 1.727 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.165 2.961 . 0.158 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 O4'-C1'-N19 110.885 2.685 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.424 ' H62' ' NE ' ' A' ' 31' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 N19-C1'-C2' 109.433 -2.48 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 1 C5'-C4'-C3' 108.253 -4.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.511 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.691 -3.009 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.527 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.111 -3.589 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.527 " H5'" HO2' ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 100.174 -2.526 . 0.699 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.512 HO2' " H5'" ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.866 -2.834 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.512 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.477 -3.223 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.478 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.993 -2.707 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 107.24 10.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 173.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.43 147.24 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -140.03 159.85 41.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -120.05 140.99 50.17 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -144.29 164.16 31.57 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -113.38 155.94 24.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.06 113.43 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.104 0.478 . . . . 0.0 110.555 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.1 -14.59 8.92 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.923 0.773 . . . . 0.0 112.656 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -85.52 -175.23 5.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 117.753 0.777 . . . . 0.0 111.867 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -145.58 167.52 22.85 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.9 165.79 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 126.549 1.939 . . . . 0.0 107.646 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.46 153.93 50.01 Favored 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 118.858 0.753 . . . . 0.0 112.338 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -142.56 144.94 23.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 123.926 0.89 . . . . 0.0 108.722 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.62 -140.63 37.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.32 11.26 5.39 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 109.529 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -139.65 8.4 2.37 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.577 0.751 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.139 0.881 . . . . 0.0 110.649 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -137.8 155.35 49.11 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.25 148.98 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -139.49 149.78 44.38 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.44 88.56 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.67 -31.34 72.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.193 0.597 . . . . 0.0 111.753 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -168.13 34.31 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.857 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.93 160.42 35.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -147.78 79.56 1.48 Allowed 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.71 -118.11 4.92 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.844 -2.102 . . . . 0.0 107.844 -171.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.17 0.54 43.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -80.94 160.61 24.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.7 t -140.46 118.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -77.62 115.26 17.23 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -113.74 143.57 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 151.46 17.12 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.49 144.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -136.3 103.42 5.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.3 155.86 57.67 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.178 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.75 151.66 57.82 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.718 2.279 . . . . 0.0 110.176 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.33 -4.0 4.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.402 -0.186 . . . . 0.0 110.555 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.89 -8.02 40.21 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.397 1.079 . . . . 0.0 110.933 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.13 160.56 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 123.521 0.729 . . . . 0.0 109.415 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.52 156.98 17.25 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 111.455 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.42 133.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -157.02 167.2 31.18 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.915 0.486 . . . . 0.0 110.882 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.77 159.24 33.92 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.565 . . . . 0.0 111.177 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.13 -3.64 58.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.54 0.736 . . . . 0.0 111.87 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -116.91 -34.27 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 C-N-CA 123.714 0.806 . . . . 0.0 109.692 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -55.96 -38.13 69.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 117.954 0.343 . . . . 0.0 111.394 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -65.08 -20.79 66.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.221 0.082 . . . . 0.0 111.221 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.56 -35.53 19.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.54 0.336 . . . . 0.0 111.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.33 -17.57 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -101.42 3.62 40.58 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.589 0.756 . . . . 0.0 111.595 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.1 -32.47 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.98 154.14 6.33 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.03 177.81 8.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.184 0.516 . . . . 0.0 111.488 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -139.91 16.6 2.48 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.328 1.051 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.26 57.23 4.73 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 123.189 0.596 . . . . 0.0 111.571 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_exo -48.14 -33.16 20.62 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.816 3.01 . . . . 0.0 114.391 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 122.45 0.3 . . . . 0.0 111.674 -174.5 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.538 -3.162 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.478 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C4'-C3'-C2' 99.425 -3.275 . 0.814 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.49 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.51 -3.19 . 0.818 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.49 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.395 -3.305 . 0.805 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C4'-C3'-C2' 99.034 -3.666 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 98.928 -3.772 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 O4'-C1'-N19 111.549 3.349 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.714 3.514 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.421 " H3'" ' C8 ' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 C5'-C4'-C3' 109.451 -4.033 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.476 ' H41' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.927 3.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C3'-C2'-C1' 103.507 2.23 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 P-O3'-C3' 122.131 2.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 111.49 -2.673 . 0.115 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C5'-C4'-C3' 109.702 -3.865 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C4'-C3'-C2' 99.04 -3.66 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 99.183 -3.517 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.604 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.961 -3.739 . 0.716 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.604 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 99.86 -2.84 . 0.661 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.557 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.081 2.881 . 0.771 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.49 " H5'" HO2' ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.607 -3.093 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.487 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 O4'-C1'-N19 110.779 2.579 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 107.53 11.71 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 145.6 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.384 0.674 . . . . 0.0 109.596 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -143.16 134.84 26.53 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -93.9 144.44 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.623 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.8 OUTLIER -147.34 129.19 15.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.452 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -75.74 146.58 39.96 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 174.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.16 126.13 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.75 -3.02 27.47 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.461 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -111.6 -178.31 3.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.573 1.187 . . . . 0.0 110.98 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -136.56 169.9 16.94 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -143.58 165.94 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.783 2.033 . . . . 0.0 107.164 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -138.08 153.79 49.28 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.333 -0.854 . . . . 0.0 112.226 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -142.42 145.03 24.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 124.111 0.964 . . . . 0.0 108.815 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.39 -140.2 43.29 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -129.88 10.34 5.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.627 0.771 . . . . 0.0 109.444 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -142.58 9.15 1.78 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.742 0.817 . . . . 0.0 112.308 -175.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.37 147.39 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.033 0.833 . . . . 0.0 110.88 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -137.65 154.74 49.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -134.87 148.65 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -144.47 135.88 25.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.05 0.452 . . . . 0.0 110.087 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -89.52 92.92 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.97 -31.77 72.88 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -167.78 34.08 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.357 -0.449 . . . . 0.0 112.361 173.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.36 164.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.56 64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -113.04 3.56 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -92.27 -6.97 49.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -76.96 156.11 32.2 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.335 0.588 . . . . 0.0 110.139 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -137.26 121.51 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.433 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -83.19 118.93 23.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 171.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -119.57 135.65 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.72 152.05 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -135.8 145.24 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -134.84 104.91 6.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.36 155.31 49.96 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 123.897 0.879 . . . . 0.0 109.19 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.33 152.59 61.17 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.66 2.24 . . . . 0.0 110.324 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -66.09 -2.19 3.9 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.924 -0.485 . . . . 0.0 110.371 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.18 -11.6 59.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.891 0.876 . . . . 0.0 110.868 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.43 160.55 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.825 0.85 . . . . 0.0 109.286 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.61 155.56 17.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.973 0.416 . . . . 0.0 111.542 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.91 133.61 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -155.69 165.86 35.25 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 121.044 0.449 . . . . 0.0 111.634 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -68.75 154.48 41.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.37 -23.78 66.01 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.528 0.604 . . . . 0.0 112.076 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.83 -36.58 70.25 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 110.358 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -91.83 -32.12 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.93 -170.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.9 -40.33 72.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 117.916 0.325 . . . . 0.0 110.495 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.8 -20.85 66.61 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.413 -0.18 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . 0.406 ' HD2' ' C5 ' ' B' ' 7' ' ' ' C' . 41.1 ttm180 -87.42 -36.87 17.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 119.07 -0.49 . . . . 0.0 111.749 -176.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.23 -18.65 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.759 0.709 . . . . 0.0 109.606 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -98.18 3.67 49.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.09 0.556 . . . . 0.0 111.124 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.51 -12.69 4.39 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.0 151.97 5.86 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.476 ' HA ' ' H41' ' B' ' 7' ' ' ' C' . 2.7 mm? -125.92 160.81 28.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.539 -172.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -141.56 1.23 1.53 Allowed 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.802 0.841 . . . . 0.0 110.805 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.479 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -151.22 39.32 0.17 Allowed Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 81.0 Cg_exo -47.67 -42.2 30.08 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.614 2.209 . . . . 0.0 113.431 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 123.924 0.89 . . . . 0.0 109.313 -176.619 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.068 -2.955 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.467 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.496 -3.204 . 0.845 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.516 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.706 -2.994 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.516 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.378 -3.322 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 98.974 -3.726 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.026 -3.674 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.53 HO2' " H5'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.307 -3.393 . 0.397 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.53 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.579 3.379 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . 0.415 " H3'" ' C8 ' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C5'-C4'-C3' 109.681 -3.879 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 O4'-C1'-N19 111.743 3.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C5'-C4'-C3' 110.618 -3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O5'-C5'-C4' 112.572 1.694 . 0.015 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C3'-C2'-C1' 104.292 3.102 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 O4'-C1'-N19 110.505 2.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.51 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C5'-C4'-C3' 112.177 -2.216 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 C5'-C4'-C3' 108.401 -4.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.572 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.495 -3.205 . 0.888 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.572 " H5'" HO2' ' D' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 99.29 -3.41 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.54 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.86 -2.84 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.54 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.733 -2.967 . 0.756 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.522 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 99.441 -3.259 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.482 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O4'-C1'-N19 110.876 2.676 . 0.777 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.76 109.26 11.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.58 144.87 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.91 134.93 27.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.0 p -91.38 145.63 24.47 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -146.52 127.37 14.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -79.88 148.74 31.19 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 m -57.86 129.99 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.95 43.02 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.755 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -112.25 -176.92 3.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.395 1.097 . . . . 0.0 111.048 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -141.46 169.84 16.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -145.1 165.54 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.355 1.862 . . . . 0.0 107.418 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.22 153.56 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.485 -0.76 . . . . 0.0 112.427 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -142.66 142.6 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.72 -140.3 38.03 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.364 -1.095 . . . . 0.0 110.364 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.34 10.69 5.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.47 0.708 . . . . 0.0 109.548 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -139.87 9.1 2.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.972 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.12 146.05 34.46 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 118.77 0.714 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -138.92 154.23 48.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.81 149.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 83.3 m -141.93 150.93 42.12 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -111.6 97.32 5.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.99 -33.68 74.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.11 -175.46 36.9 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.787 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.29 161.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.342 0.269 0 CA-C-N 117.154 0.477 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 m -153.09 107.13 3.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.41 -104.76 1.04 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -116.77 -3.59 11.7 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.583 0.753 . . . . 0.0 109.987 175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.449 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 26.6 mt-30 -73.84 152.89 40.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 173.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -144.81 120.37 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 34.8 mtm180 -82.1 122.95 28.5 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 170.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.11 140.64 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.76 147.73 18.91 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' C' ' 1' ' ' MET . 69.2 mt -135.57 144.86 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -135.42 103.0 5.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.78 155.23 56.18 Favored Pre-proline 0 N--CA 1.449 -0.476 0 C-N-CA 123.604 0.762 . . . . 0.0 109.331 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.7 152.5 58.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.082 2.521 . . . . 0.0 110.231 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.539 ' HB3' ' HZ1' ' A' ' 38' ' ' LYS . 4.4 mmmp? -65.61 -2.15 3.26 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.446 -0.159 . . . . 0.0 110.728 175.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.61 -11.45 60.06 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.988 0.915 . . . . 0.0 110.651 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.29 160.9 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.691 0.796 . . . . 0.0 109.286 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.7 157.23 17.33 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.3 131.24 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -159.1 165.59 33.49 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 122.774 0.429 . . . . 0.0 111.687 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -67.37 159.67 28.93 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 168.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.53 -33.82 73.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.63 0.372 . . . . 0.0 111.337 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 -14.26 60.08 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -102.34 -33.95 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 123.133 0.573 . . . . 0.0 109.697 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -55.32 -39.22 69.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.398 -0.189 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.28 -21.71 66.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.622 0.192 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.39 -35.7 24.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.164 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.24 -17.41 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -102.77 2.44 35.6 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.336 0.654 . . . . 0.0 111.258 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.17 -29.32 5.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.113 0.415 . . . . 0.0 111.719 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.54 153.19 5.82 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.62 172.92 12.54 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.022 0.529 . . . . 0.0 110.885 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.7 p -143.74 6.83 1.43 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 110.947 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -63.97 -36.26 19.76 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 118.27 -0.871 . . . . 0.0 113.141 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 65.8 Cg_exo -54.89 168.49 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.047 2.498 . . . . 0.0 114.853 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.486 1.114 . . . . 0.0 112.167 -179.65 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.411 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 100.007 -2.693 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.485 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.214 -3.486 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.485 " H5'" HO2' ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.503 -3.197 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.412 -3.288 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.161 -3.539 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.007 -3.693 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.477 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.219 -3.481 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.477 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C3'-C2'-C1' 103.96 2.734 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C5'-C4'-C3' 109.581 -3.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.788 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 P-O3'-C3' 122.294 2.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 O5'-C5'-C4' 113.05 2.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C3'-C2'-C1' 104.299 3.11 . 0.092 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.557 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C5'-C4'-C3' 112.423 -2.052 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C4'-C3'-C2' 99.408 -3.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 99.759 -2.941 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.591 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.181 -3.519 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.597 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.987 -2.713 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.597 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.704 -2.996 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.557 -3.143 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 100.118 -2.582 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.4 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 47.7 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 119.867 -0.111 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.6 112.5 15.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -87.71 144.86 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.37 133.73 29.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 170.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -87.61 148.14 24.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 172.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -148.08 155.93 42.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.449 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.3 tptm -109.81 144.14 38.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . 0.432 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.4 t -53.25 113.34 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.28 6.52 8.88 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.789 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -121.73 -168.04 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.437 1.119 . . . . 0.0 111.54 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 53.7 m -152.81 168.51 25.51 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.444 0.698 . . . . 0.0 111.691 -170.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 31.2 mt -145.36 165.25 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.449 1.9 . . . . 0.0 107.706 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.85 153.34 52.08 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.885 0.474 . . . . 0.0 111.263 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -143.6 143.94 23.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.98 -138.25 45.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -130.34 10.06 5.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.538 0.735 . . . . 0.0 110.041 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.61 9.75 2.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.079 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.28 34.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 119.152 0.887 . . . . 0.0 110.922 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -138.51 153.69 48.76 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -133.61 149.61 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -138.28 154.71 49.03 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 tp -115.31 90.06 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.576 0.75 . . . . 0.0 109.048 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.0 -23.99 63.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.973 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 153.93 -173.45 32.56 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.284 177.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.57 159.68 42.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -147.18 83.58 1.57 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.4 -118.21 5.21 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 107.547 -2.221 . . . . 0.0 107.547 -171.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.81 0.45 41.59 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.01 160.48 27.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 109.573 172.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.43 119.01 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -80.23 116.01 20.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -116.19 142.0 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.7 149.65 18.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.86 145.4 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.43 102.62 5.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.28 154.93 57.91 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.71 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.44 152.13 65.59 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 122.758 2.305 . . . . 0.0 109.76 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.65 -2.82 3.87 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 122.413 -0.179 . . . . 0.0 110.536 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.18 -11.33 59.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.067 0.947 . . . . 0.0 110.896 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.47 160.83 31.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.442 0.697 . . . . 0.0 109.224 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.17 155.36 18.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 111.682 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.35 132.02 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -156.89 167.41 30.55 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -69.74 163.15 26.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -65.5 -24.15 67.07 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.298 -0.251 . . . . 0.0 111.276 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.8 -48.55 30.65 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.496 0.665 . . . . 0.0 110.021 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.4 -33.18 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.129 -173.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.21 -42.92 77.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.0 -0.437 . . . . 0.0 110.883 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.82 -20.76 66.36 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.464 -0.148 . . . . 0.0 110.774 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.61 -37.22 23.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.834 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.91 -18.69 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -98.27 3.74 48.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.371 0.668 . . . . 0.0 111.323 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.62 -13.35 5.95 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.74 153.17 6.13 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.06 156.02 42.35 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 110.564 -172.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -142.58 0.04 1.25 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.988 0.915 . . . . 0.0 110.489 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.414 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -153.19 56.84 1.78 Allowed Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 123.419 0.687 . . . . 0.0 110.789 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 76.6 Cg_exo -51.36 168.48 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.544 2.829 . . . . 0.0 114.02 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.633 -179.436 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C5'-C4'-C3' 111.056 -2.962 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C4'-C3'-C2' 99.359 -3.341 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.605 -3.095 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.362 -3.338 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.151 -3.549 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.628 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 98.746 -3.954 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.628 " H5'" HO2' ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.745 3.545 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C3'-C2'-C1' 104.188 2.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 C5'-C4'-C3' 109.288 -4.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 111.693 3.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C3'-C2'-C1' 103.575 2.306 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 P-O3'-C3' 122.177 2.064 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 C3'-C2'-C1' 104.292 3.102 . 0.141 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O4'-C1'-N19 111.105 2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.577 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 O3'-P-O5' 100.196 -2.002 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C5'-C4'-C3' 111.524 -2.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.885 -2.815 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.34 -3.36 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.985 -2.715 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 100.025 -2.675 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.597 -3.103 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 100.023 -2.677 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.9 tpp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.33 109.64 11.99 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.96 146.19 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -139.52 162.69 34.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -125.0 139.5 53.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -143.45 139.03 29.7 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.458 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -81.34 152.7 27.39 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.78 130.48 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 118.731 -1.187 . . . . 0.0 110.34 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.94 -14.76 37.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.875 0.75 . . . . 0.0 112.199 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -84.51 179.5 7.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.96 0.88 . . . . 0.0 111.167 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 m -140.49 167.17 22.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -142.54 165.23 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.994 1.718 . . . . 0.0 107.189 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -137.77 153.38 49.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.701 -0.624 . . . . 0.0 112.175 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -144.39 142.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.082 0.953 . . . . 0.0 108.517 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.64 -140.08 41.33 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -129.77 10.78 5.59 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.521 0.728 . . . . 0.0 109.748 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -141.25 8.7 2.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.304 0.641 . . . . 0.0 111.91 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 146.3 34.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.852 0.751 . . . . 0.0 110.379 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -139.99 156.39 46.65 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.371 1.068 . . . . 0.0 108.136 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.5 mm -135.97 148.6 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -143.86 125.04 14.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.11 95.58 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.1 -32.06 72.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.129 -0.357 . . . . 0.0 111.094 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -171.57 35.07 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.629 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.19 162.59 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.867 0.467 . . . . 0.0 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -153.21 92.45 1.62 Allowed 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 -119.45 6.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -170.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.74 -0.21 34.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.849 0.325 . . . . 0.0 110.53 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.429 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 24.8 mt-30 -79.76 154.91 28.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.29 122.56 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 37.9 mtm180 -83.2 122.23 28.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 170.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.42 124.18 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 149.21 18.78 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.3 mt -133.59 145.43 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.03 103.42 5.35 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.35 152.87 51.24 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.709 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -67.59 151.51 79.39 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.656 2.238 . . . . 0.0 108.99 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.629 ' HE2' ' N3 ' ' D' ' 9' ' ' ' G' . 0.3 OUTLIER -64.14 -6.09 5.96 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.71 -10.4 36.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.741 1.216 . . . . 0.0 111.553 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m -137.13 159.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.45 154.36 17.31 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -153.45 131.09 2.33 Favored 'Isoleucine or valine' 0 C--N 1.337 0.058 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -155.81 166.18 34.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.586 0.231 . . . . 0.0 111.303 -175.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -69.25 162.14 27.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.34 -28.97 69.66 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.209 -0.307 . . . . 0.0 110.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.09 -6.14 57.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.691 0.797 . . . . 0.0 112.626 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -116.41 -33.54 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 C-N-CA 124.06 0.944 . . . . 0.0 109.925 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.07 -36.13 67.73 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 117.887 0.312 . . . . 0.0 111.342 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.13 -21.55 66.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 122.352 -0.218 . . . . 0.0 111.041 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.75 -36.27 18.72 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 122.607 0.363 . . . . 0.0 111.554 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.35 -18.07 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -100.91 2.77 41.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.378 0.671 . . . . 0.0 111.326 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 -31.14 5.57 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.663 0.385 . . . . 0.0 111.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.3 152.93 5.75 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 176.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.3 172.13 15.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.095 0.558 . . . . 0.0 111.197 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.1 p -144.03 3.76 1.23 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.867 0.867 . . . . 0.0 110.988 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -65.93 -32.61 5.97 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 78.5 Cg_exo -53.65 171.99 0.28 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.382 2.721 . . . . 0.0 114.334 175.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 123.738 0.815 . . . . 0.0 111.546 178.872 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C5'-C4'-C3' 111.461 -2.693 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.45 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.281 -3.419 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.45 " H5'" HO2' ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.533 -3.167 . 0.815 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.287 3.087 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.591 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.766 -3.934 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.618 HO2' " H5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 112.085 3.885 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.618 " H5'" HO2' ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 O4'-C1'-N19 111.546 3.346 . 0.318 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.525 HO2' " H5'" ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.752 1 C5'-C4'-C3' 109.358 -4.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.525 " H5'" HO2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-O4' 114.144 3.531 . 0.467 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 O4'-C1'-N19 111.581 3.381 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 P-O3'-C3' 122.224 2.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 P-O3'-C3' 122.167 2.056 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C3'-C2'-C1' 104.154 2.949 . 0.113 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O4'-C1'-N19 111.271 3.071 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.548 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C5'-C4'-C3' 111.889 -2.407 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 1 C5'-C4'-C3' 108.232 -4.845 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.558 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.68 -3.02 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.558 " H5'" HO2' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.483 -3.217 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.557 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C4'-C3'-C2' 99.716 -2.984 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.519 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.2 3.0 . 0.784 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.47 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.552 -3.148 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.47 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C4'-C3'-C2' 99.75 -2.95 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.585 -0.245 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.01 104.4 8.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.96 146.43 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.55 155.19 46.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.8 p -116.8 145.06 43.77 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.8 mmp_? -143.6 164.66 29.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 10.8 tptm -113.82 151.79 31.58 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -56.26 119.74 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.096 0.862 . . . . 0.0 110.042 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.37 4.96 21.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.016 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -113.37 -178.77 3.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.536 1.168 . . . . 0.0 110.988 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -143.87 167.44 22.32 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -142.77 165.19 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.3 1.84 . . . . 0.0 107.52 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -134.65 153.5 51.95 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 121.802 -0.561 . . . . 0.0 111.211 -176.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.44 141.78 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -139.37 41.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.23 10.88 5.39 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.579 0.752 . . . . 0.0 109.415 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.41 9.28 2.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.292 0.637 . . . . 0.0 112.054 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.25 146.28 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 118.951 0.796 . . . . 0.0 110.576 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.7 m -140.64 155.67 46.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -133.66 149.24 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 74.6 m -144.57 126.89 15.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.57 96.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.26 -33.13 71.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.307 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.07 -172.43 36.56 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.272 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.93 161.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 122.576 0.35 . . . . 0.0 110.256 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 p -153.73 114.64 4.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.99 -99.29 0.3 Allowed Glycine 0 C--N 1.334 0.421 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -125.96 1.02 7.3 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.26 0.624 . . . . 0.0 110.605 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -74.16 160.29 31.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.65 120.22 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -79.93 121.52 25.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.0 125.73 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.64 150.18 19.29 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 108.646 -1.782 . . . . 0.0 108.646 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.8 mt -135.61 145.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -134.97 105.35 6.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.79 155.31 48.26 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 123.837 0.855 . . . . 0.0 108.999 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.71 152.66 59.06 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.008 2.472 . . . . 0.0 110.277 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.89 -5.21 8.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.983 -0.448 . . . . 0.0 110.372 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -9.28 44.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.106 0.963 . . . . 0.0 111.082 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 161.33 28.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.637 0.775 . . . . 0.0 109.006 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.51 156.35 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.15 -0.344 . . . . 0.0 111.515 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.14 132.04 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -157.88 164.71 36.65 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.577 0.351 . . . . 0.0 110.413 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 4.9 ptp85 -72.7 163.64 27.77 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 171.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.45 -24.87 65.56 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.4 tp10 -70.85 -51.75 24.57 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.645 0.657 . . . . 0.0 110.605 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -74.4 -32.28 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.956 -171.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.3 -40.89 68.33 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.412 0.551 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.9 -20.69 65.96 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.0 -0.091 . . . . 0.0 111.103 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.1 -34.03 22.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 122.744 0.418 . . . . 0.0 111.822 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.423 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.6 mp -64.01 -18.37 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -105.46 2.81 28.92 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.63 0.772 . . . . 0.0 112.73 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.5 -8.58 13.85 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 -0.89 3.12 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 118.987 0.812 . . . . 0.0 112.788 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.423 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.1 mm? 62.72 164.5 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.059 1.344 . . . . 0.0 113.268 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -147.73 5.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.089 1.356 . . . . 0.0 109.687 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.424 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -146.04 59.59 5.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 123.586 0.754 . . . . 0.0 111.165 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 69.7 Cg_exo -54.37 -168.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 124.655 3.57 . . . . 0.0 115.58 176.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.226 -174.328 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.432 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.577 -3.123 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.48 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.352 -3.348 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.519 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.445 -3.255 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.519 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.449 -3.251 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.575 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 98.875 -3.825 . 0.664 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.575 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.088 -3.612 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.655 HO2' " H5'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.632 3.432 . 0.343 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.655 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 O4'-C1'-N19 112.173 3.973 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . 0.569 " H5'" HO2' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-O4' 113.687 3.205 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.914 -3.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.656 2.456 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . 0.629 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C5'-C4'-O4' 112.15 2.107 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C5'-C4'-C3' 110.739 -3.174 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.556 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 110.06 1.86 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C5'-C4'-C3' 111.301 -2.8 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 100.038 -2.662 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.548 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.383 -3.317 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.548 " H5'" HO2' ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.985 -2.715 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.544 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.879 -2.821 . 0.764 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.49 HO2' " H5'" ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.45 -3.25 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.49 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.971 -2.729 . 0.787 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.9 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.901 -0.037 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.26 110.64 13.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.16 144.56 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.23 134.76 28.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -92.96 142.98 26.7 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -149.07 134.35 18.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -83.56 151.63 25.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.18 134.07 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.81 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.74 -0.62 52.37 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.286 -0.73 . . . . 0.0 112.965 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -109.18 -175.96 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.485 1.142 . . . . 0.0 110.489 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -140.88 169.57 17.38 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -171.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -143.89 165.68 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 126.441 1.896 . . . . 0.0 107.559 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -133.11 153.42 51.53 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.376 -0.828 . . . . 0.0 112.145 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -144.56 140.41 23.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.651 0.78 . . . . 0.0 109.016 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.3 -140.46 42.62 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -130.58 10.7 5.21 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.079 0.551 . . . . 0.0 109.869 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -140.09 9.21 2.32 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.412 0.685 . . . . 0.0 111.655 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.96 148.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.77 0.714 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -140.68 156.24 46.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.69 149.11 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -174.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.13 150.42 44.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.5 90.44 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.66 -31.04 71.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.445 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -171.74 35.5 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.964 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.94 160.44 42.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -146.37 81.15 1.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.99 -118.85 6.15 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -171.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -93.82 -4.55 49.96 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.442 ' OE1' ' C5 ' ' D' ' 3' ' ' ' U' . 23.1 mt-30 -80.91 149.66 29.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.9 124.71 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 29.3 mtm180 -85.41 120.98 27.48 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 170.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.46 141.59 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.92 150.78 18.46 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' C' ' 1' ' ' MET . 65.4 mt -135.85 145.3 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.21 103.7 5.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.13 155.67 54.75 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.109 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.21 152.96 51.03 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.279 2.652 . . . . 0.0 110.397 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.561 ' HB3' ' HZ3' ' A' ' 38' ' ' LYS . 4.3 mmmp? -65.79 -4.42 6.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.246 -0.284 . . . . 0.0 110.686 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.23 -9.9 50.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.746 172.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -138.52 161.01 31.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.536 0.734 . . . . 0.0 109.474 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.72 156.17 18.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.56 133.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -157.35 165.9 34.54 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 112.066 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -64.91 157.04 29.11 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.81 -24.51 67.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.802 0.274 . . . . 0.0 111.392 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -72.05 -46.9 55.2 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.53 0.681 . . . . 0.0 110.026 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.12 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.841 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.4 -41.06 72.2 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.195 0.452 . . . . 0.0 110.959 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.92 -21.04 66.0 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.483 -0.135 . . . . 0.0 110.972 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -84.25 -34.06 23.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.807 0.443 . . . . 0.0 111.328 -176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 2.5 mp -65.23 -18.11 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -105.34 6.59 32.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.316 0.646 . . . . 0.0 112.023 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.26 -8.85 13.93 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -0.34 5.36 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 119.124 0.874 . . . . 0.0 112.499 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 51' ' ' ILE . 2.1 mm? 63.38 158.57 0.08 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.274 1.43 . . . . 0.0 112.749 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -149.89 -5.42 0.35 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.446 1.098 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -150.88 55.49 1.73 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 123.755 0.822 . . . . 0.0 111.054 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 77.0 Cg_exo -46.64 -34.85 16.02 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.42 2.747 . . . . 0.0 113.869 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 CA--C 1.531 0.212 0 C-N-CA 122.884 0.474 . . . . 0.0 111.479 -176.83 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 111.528 -2.648 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.481 -3.219 . 0.851 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.5 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.698 -3.002 . 0.788 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.5 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.525 -3.175 . 0.79 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 98.818 -3.882 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 O4'-C1'-N19 111.601 3.401 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.526 3.326 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.512 ' C4 ' H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 110.288 -3.475 OUTLIER-DELTA 0.088 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 C5'-C4'-C3' 109.487 -4.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 O4'-C1'-N19 111.387 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 112.007 -2.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 P-O3'-C3' 121.828 1.773 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 104.361 3.179 . 0.099 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.563 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C5'-C4'-C3' 112.034 -2.311 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 C5'-C4'-C3' 108.121 -4.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.507 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.641 -3.059 . 0.16 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.544 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 C4'-C3'-C2' 99.385 -3.315 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.544 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.958 0 C4'-C3'-C2' 99.994 -2.706 . 0.709 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.538 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.651 -3.049 . 0.776 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.483 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.876 -2.824 . 0.819 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.483 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 N19-C1'-C2' 109.052 -2.717 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 49.0 tpp . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 108.42 10.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.5 146.67 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.31 155.12 46.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -118.26 144.77 45.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.09 165.43 36.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -107.5 154.86 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -56.18 124.24 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 -3.46 24.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.632 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -104.18 -179.31 3.91 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.545 1.172 . . . . 0.0 112.179 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -138.76 165.65 26.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mt -144.12 165.86 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.383 1.873 . . . . 0.0 108.165 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.18 153.38 51.98 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 121.521 0.676 . . . . 0.0 112.221 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.11 144.39 23.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -138.85 40.23 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -129.93 10.62 5.5 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.337 0.655 . . . . 0.0 109.594 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.88 9.75 1.96 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.213 0.605 . . . . 0.0 111.938 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 146.66 33.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.218 0.917 . . . . 0.0 110.388 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.0 m -138.45 155.88 48.06 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.357 1.063 . . . . 0.0 108.303 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -133.32 149.15 31.06 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -176.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -139.96 151.89 45.89 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 6.1 tp -115.12 89.95 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.88 -32.33 73.78 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.47 -173.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.74 -170.24 35.23 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.91 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.11 164.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.026 0 C-N-CA 122.972 0.509 . . . . 0.0 110.163 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -152.94 102.64 2.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.14 -111.05 3.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.51 0.35 20.86 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.938 0.495 . . . . 0.0 111.046 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -80.01 156.78 27.0 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -143.1 120.79 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -80.59 119.22 22.94 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.83 141.57 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.44 149.93 18.51 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 1' ' ' MET . 69.5 mt -137.19 145.15 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -135.82 105.68 6.22 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.18 155.89 50.57 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.59 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.58 151.46 58.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.928 2.419 . . . . 0.0 110.144 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.467 ' HZ1' ' HB3' ' C' ' 38' ' ' LYS . 4.1 mmmp? -64.65 -2.43 2.43 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 122.16 -0.337 . . . . 0.0 110.642 175.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.83 -11.47 60.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.013 0.925 . . . . 0.0 110.7 173.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.24 160.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 C-N-CA 123.619 0.768 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 156.13 17.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 111.545 -175.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.83 133.85 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -158.06 172.95 17.49 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.373 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.28 160.25 32.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.47 -28.2 69.04 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.73 -9.7 59.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.916 0.886 . . . . 0.0 112.167 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.45 -34.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 C-N-CA 123.707 0.803 . . . . 0.0 109.957 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -54.71 -38.93 67.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.036 0.38 . . . . 0.0 111.411 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.86 -21.93 66.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.444 -0.16 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -87.01 -30.6 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.646 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.5 mp -64.22 -18.9 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -105.4 2.42 28.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.342 0.657 . . . . 0.0 112.445 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.78 -14.11 13.13 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -172.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.26 -9.6 0.83 Allowed Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.561 1.073 . . . . 0.0 113.765 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.8 mm? 65.42 153.58 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.255 1.422 . . . . 0.0 113.732 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . 0.404 ' H ' ' H ' ' C' ' 57' ' ' ALA . 44.1 p -153.66 -15.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.8 1.64 . . . . 0.0 109.611 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.404 ' H ' ' H ' ' C' ' 56' ' ' THR . . . -155.05 67.51 5.21 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 125.124 1.369 . . . . 0.0 108.584 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.53 -28.28 1.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 1 C-N-CA 125.641 4.228 . . . . 0.0 116.73 -171.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 118.093 0.406 . . . . 0.0 111.362 -175.171 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.42 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.376 -3.324 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.44 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C4'-C3'-C2' 99.166 -3.534 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.44 " H5'" HO2' ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.351 -3.349 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.46 3.26 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.092 -3.608 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.619 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.895 3.695 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.619 " H5'" HO2' ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.9 1 O4'-C1'-N19 112.244 4.044 . 0.26 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.568 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 O4'-C1'-N19 110.939 2.739 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C5'-C4'-C3' 109.754 -3.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.92 3.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 O4'-C1'-N19 110.557 2.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O5'-C5'-C4' 113.069 2.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C3'-C2'-C1' 104.287 3.097 . 0.082 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 110.715 2.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.553 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C5'-C4'-C3' 111.548 -2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 1 C5'-C4'-C3' 108.079 -4.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.687 -3.013 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.578 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.057 -3.643 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.578 " H5'" HO2' ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.889 -2.811 . 0.707 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.544 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.708 -2.992 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.498 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.393 -3.307 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.469 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C4'-C3'-C2' 99.81 -2.89 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 40.2 tpp . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 105.4 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.28 147.33 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -140.9 161.06 38.71 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -120.08 144.97 47.31 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -147.79 137.03 22.31 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.409 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -87.52 150.21 23.87 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.44 131.38 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.86 0.33 42.14 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.291 -0.727 . . . . 0.0 113.242 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -112.32 -176.66 2.97 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.537 1.169 . . . . 0.0 110.495 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -140.83 169.8 16.95 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.3 mt -143.99 165.07 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.242 1.817 . . . . 0.0 107.469 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -136.85 153.63 50.72 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.701 . . . . 0.0 112.36 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -141.91 144.1 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.312 1.045 . . . . 0.0 108.539 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.32 -140.27 40.1 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -130.25 10.73 5.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.483 0.713 . . . . 0.0 109.722 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.1 9.25 2.53 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.443 0.697 . . . . 0.0 111.902 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.95 146.21 34.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.08 0.854 . . . . 0.0 110.513 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -138.41 155.66 48.29 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.047 0.939 . . . . 0.0 108.469 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.72 147.36 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -143.9 120.9 11.37 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -76.61 93.84 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.44 -29.82 69.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.146 -0.346 . . . . 0.0 111.317 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.98 -170.17 34.8 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.678 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.72 164.43 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.87 96.48 2.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -115.8 7.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 108.368 -1.893 . . . . 0.0 108.368 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -103.93 0.98 30.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.116 0.458 . . . . 0.0 110.15 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -78.79 160.35 27.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -139.98 120.15 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -80.94 118.78 22.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -120.1 122.94 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.72 149.5 19.32 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.16 145.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -135.3 104.25 5.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.75 154.06 51.29 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.843 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.94 151.74 68.16 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.783 2.322 . . . . 0.0 110.256 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.28 -2.81 3.32 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.94 -11.96 59.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.23 1.012 . . . . 0.0 110.971 173.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -138.64 160.37 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.858 0.863 . . . . 0.0 109.556 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.66 157.07 16.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.946 0.403 . . . . 0.0 111.516 -175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.25 133.16 3.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -157.15 167.23 30.99 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 122.722 0.409 . . . . 0.0 111.099 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -69.54 160.64 31.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 169.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.04 -23.58 65.9 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.187 -0.32 . . . . 0.0 110.786 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.54 -3.43 58.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.335 0.654 . . . . 0.0 111.866 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -118.57 -33.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 123.693 0.797 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -56.35 -38.85 71.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.001 -0.437 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.88 -21.05 66.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.44 -0.162 . . . . 0.0 111.017 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -87.02 -36.36 18.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.628 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.61 -18.54 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 118.536 0.607 . . . . 0.0 109.513 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -99.79 3.96 45.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.138 0.575 . . . . 0.0 110.925 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.76 -14.4 5.67 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.21 152.42 6.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.76 156.03 40.08 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.326 0.563 . . . . 0.0 110.542 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -142.44 -0.8 1.21 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.849 0.859 . . . . 0.0 110.455 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -152.23 60.59 3.59 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.933 0.893 . . . . 0.0 110.353 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 77.5 Cg_exo -51.93 169.47 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.874 3.049 . . . . 0.0 113.946 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 123.811 0.845 . . . . 0.0 112.687 -179.107 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.43 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C5'-C4'-C3' 111.19 -2.874 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.497 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.149 -3.551 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.497 " H5'" HO2' ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.098 -3.602 . 0.798 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.495 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.535 -3.165 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.603 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.896 -3.804 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.603 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.182 -3.518 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.678 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 111.847 3.647 . 0.43 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.678 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.604 3.404 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 110.038 -3.641 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.539 ' C2 ' HD13 ' C' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.651 2 O4'-C1'-N19 113.4 5.2 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C5'-C4'-C3' 110.148 -3.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.403 " H4'" ' O ' ' A' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 O5'-C5'-C4' 112.773 1.838 . 0.043 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C3'-C2'-C1' 104.312 3.124 . 0.195 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 O4'-C1'-N19 110.693 2.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.536 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C5'-C4'-C3' 112.063 -2.292 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 C5'-C4'-C3' 108.467 -4.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.718 -2.982 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.528 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 111.307 3.107 . 0.817 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.565 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.86 -2.84 . 0.708 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.565 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.488 -3.212 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.469 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.855 -2.845 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.469 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 99.907 -2.793 . 0.761 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.69 108.42 11.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.59 147.33 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.3 159.19 42.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -117.89 142.22 47.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.7 128.61 15.41 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.353 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -79.34 149.25 31.79 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -57.56 132.28 21.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 O-C-N 121.763 -0.586 . . . . 0.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 -0.4 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.969 -0.906 . . . . 0.0 112.903 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -108.85 -176.55 3.07 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.323 1.061 . . . . 0.0 110.664 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.3 m -139.69 167.52 21.91 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -171.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -143.64 165.7 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.287 1.835 . . . . 0.0 107.26 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.31 153.86 47.81 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.685 -0.635 . . . . 0.0 112.218 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.16 142.92 27.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 -140.68 37.22 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.41 12.5 5.47 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.614 0.766 . . . . 0.0 110.044 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -137.83 7.91 2.76 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.664 0.786 . . . . 0.0 111.909 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.28 146.43 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.279 0.945 . . . . 0.0 110.799 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -139.84 156.58 46.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.263 1.025 . . . . 0.0 108.254 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -136.0 147.12 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 55.6 m -142.78 123.3 14.01 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -78.74 93.62 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.45 -30.49 70.22 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -175.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.69 -170.07 34.62 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.407 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.96 162.32 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 122.558 0.343 . . . . 0.0 110.272 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -146.6 82.68 1.59 Allowed 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -111.86 3.44 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -171.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.23 -1.92 26.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.937 0.369 . . . . 0.0 110.426 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -78.58 155.52 29.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.5 t -142.71 118.81 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -78.5 118.94 21.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -121.14 123.35 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.96 149.85 19.17 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.3 mt -135.2 145.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.3 105.09 5.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.56 156.16 52.94 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.948 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.17 151.73 55.4 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.864 2.376 . . . . 0.0 110.279 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.22 -5.79 5.6 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.219 -0.301 . . . . 0.0 110.563 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.72 -8.59 36.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.085 0.954 . . . . 0.0 111.213 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.65 160.33 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.234 0.614 . . . . 0.0 109.784 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.38 156.79 16.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 111.341 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 133.71 4.47 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -156.95 165.62 35.65 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.697 0.284 . . . . 0.0 111.696 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -67.15 155.58 38.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -65.31 -23.39 67.0 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.767 -0.583 . . . . 0.0 110.435 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.41 -2.85 54.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.305 0.642 . . . . 0.0 111.93 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . 0.539 HD13 ' C2 ' ' B' ' 7' ' ' ' C' . 25.4 mm -119.6 -35.71 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 124.252 1.021 . . . . 0.0 110.033 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -56.98 -37.44 71.61 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.975 -0.453 . . . . 0.0 110.852 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.57 -22.93 67.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.23 -0.293 . . . . 0.0 110.834 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -87.16 -35.03 18.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.211 0.604 . . . . 0.0 111.833 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -63.31 -18.64 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 119.011 0.823 . . . . 0.0 109.074 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -100.28 5.59 44.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.614 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -125.55 -30.59 3.07 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 112.007 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.71 153.28 5.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.24 168.68 24.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.086 0.47 . . . . 0.0 111.359 -175.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -145.0 0.88 0.96 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.481 0.712 . . . . 0.0 111.65 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.447 ' N ' ' CD ' ' C' ' 58' ' ' PRO . . . -65.1 -37.08 18.22 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.47 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' C' ' 57' ' ' ALA . 51.2 Cg_exo -57.93 -179.26 0.12 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.524 2.816 . . . . 0.0 113.188 171.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 122.972 0.509 . . . . 0.0 110.773 175.732 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.427 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C5'-C4'-C3' 111.563 -2.625 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.458 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.404 -3.296 . 0.834 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.503 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.238 -3.462 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.503 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.511 -3.189 . 0.796 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 98.943 -3.757 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 112.019 3.819 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.491 HO2' " H5'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.374 -3.326 . 0.443 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.491 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.201 3.001 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 109.752 -3.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 O4'-C1'-N19 111.904 3.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.681 2.481 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 P-O3'-C3' 122.007 1.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 C3'-C2'-C1' 104.445 3.273 . 0.088 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 110.883 2.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.546 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.816 -2.456 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 1 C5'-C4'-C3' 108.632 -4.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.544 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.762 -2.938 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.544 " H5'" HO2' ' D' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.322 -3.378 . 0.75 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.866 -2.834 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.501 HO2' " H5'" ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.792 -2.908 . 0.792 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.511 HO2' " H5'" ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.206 3.006 . 0.762 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.511 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C4'-C3'-C2' 100.053 -2.647 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.85 -0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 104.29 9.45 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.86 147.33 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.112 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -141.34 155.84 45.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.6 p -115.61 141.06 48.57 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.05 128.16 15.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.87 149.8 32.37 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -56.59 138.11 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.076 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -3.85 58.42 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.812 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -104.3 -175.53 2.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.518 1.159 . . . . 0.0 110.353 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.54 167.77 21.37 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -172.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -144.16 165.38 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 125.97 1.708 . . . . 0.0 107.533 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.9 154.0 49.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.655 -0.653 . . . . 0.0 112.227 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.3 mt -142.31 144.7 24.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -139.25 41.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.35 10.69 5.31 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.662 0.785 . . . . 0.0 109.438 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -139.63 8.39 2.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.42 0.688 . . . . 0.0 111.997 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.26 145.74 35.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 119.081 0.855 . . . . 0.0 110.514 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -137.73 154.98 49.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -135.43 148.54 28.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.8 m -143.63 124.83 14.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -79.26 93.37 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.07 -32.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.884 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.37 -172.42 35.36 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.294 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.63 161.9 39.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 122.83 0.452 . . . . 0.0 110.448 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -150.08 105.5 3.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.47 0.34 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 -173.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -126.32 2.7 7.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.409 0.684 . . . . 0.0 110.506 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -73.93 160.44 31.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -141.36 124.74 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.478 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 28.5 mtm180 -90.06 125.06 35.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -127.57 127.96 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.3 148.68 18.79 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.65 144.86 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -135.75 103.99 5.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.14 155.37 54.81 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.169 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.64 152.51 59.33 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.676 2.251 . . . . 0.0 110.007 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.85 -3.55 5.26 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.471 0.177 . . . . 0.0 110.534 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.55 -8.25 45.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 111.27 172.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.1 160.67 29.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.157 0.583 . . . . 0.0 109.505 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.96 156.05 17.61 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 111.721 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.86 133.23 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -157.34 168.03 28.55 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.559 0.695 . . . . 0.0 112.803 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -66.86 149.89 49.95 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 167.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -58.63 -34.55 71.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.584 -0.698 . . . . 0.0 111.824 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.2 -12.12 60.04 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.3 -34.62 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 123.296 0.639 . . . . 0.0 109.611 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.32 -43.73 75.2 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 118.003 0.365 . . . . 0.0 110.76 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.85 -20.66 65.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -81.7 -37.64 27.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.971 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.07 -18.82 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -98.69 3.61 47.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.264 0.626 . . . . 0.0 111.472 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.99 -10.49 5.4 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.48 154.83 6.3 Favored Glycine 0 C--N 1.337 0.597 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HA ' ' H41' ' D' ' 7' ' ' ' C' . 2.8 mm? -123.51 141.83 51.61 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.856 0.828 . . . . 0.0 111.011 -171.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.6 p -142.83 1.9 1.33 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.982 1.313 . . . . 0.0 109.626 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.21 76.33 7.09 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 125.005 1.322 . . . . 0.0 107.807 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.35 179.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 1 C-N-CA 125.72 4.28 . . . . 0.0 115.284 -176.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.577 1.151 . . . . 0.0 113.189 -177.635 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.414 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C4'-C3'-C2' 100.122 -2.578 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.414 " H5'" HO2' ' B' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.445 -3.255 . 0.833 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.518 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.656 -3.044 . 0.789 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.518 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.605 -3.095 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.6 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 99.031 -3.669 . 0.609 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.627 HO2' " H5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 O4'-C1'-N19 111.919 3.719 . 0.54 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.627 " H5'" HO2' ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 111.856 3.656 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.486 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C3'-C2'-C1' 104.044 2.826 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.401 ' C8 ' " H3'" ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 C5'-C4'-C3' 109.926 -3.716 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.466 ' H41' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O4'-C1'-N19 111.948 3.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 112.096 3.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 P-O3'-C3' 121.688 1.656 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C3'-C2'-C1' 104.048 2.831 . 0.085 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 111.035 2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.469 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C5'-C4'-C3' 112.36 -2.093 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 1 C5'-C4'-C3' 108.276 -4.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.571 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.442 -3.258 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.571 " H5'" HO2' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.095 -3.605 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.564 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C4'-C3'-C2' 99.982 -2.718 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.545 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.788 -2.912 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.509 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.38 -3.32 . 0.793 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.509 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C4'-C3'-C2' 100.085 -2.615 . 0.769 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 110.6 12.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.65 146.72 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.186 0.594 . . . . 0.0 109.598 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -140.46 158.86 43.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.6 p -122.65 143.61 49.66 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 110.018 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -155.77 161.83 40.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.881 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -99.82 164.56 11.97 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.92 140.22 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.732 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.15 -7.19 64.26 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 123.747 0.689 . . . . 0.0 112.718 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -86.01 -170.64 3.19 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.132 0.966 . . . . 0.0 112.798 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -150.43 157.75 43.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.928 0.891 . . . . 0.0 111.115 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mm -144.91 165.24 12.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.731 1.612 . . . . 0.0 107.849 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.66 151.89 51.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.681 0.673 . . . . 0.0 111.818 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -144.62 141.64 23.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.02 -138.92 44.33 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.57 10.34 5.17 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.8 8.82 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.324 0.65 . . . . 0.0 111.849 -174.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.71 144.57 36.98 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -141.09 155.76 46.09 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -131.05 149.32 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -174.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -134.74 147.49 50.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.41 90.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.25 -29.03 70.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.5 -169.4 33.36 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.394 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.99 162.85 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.022 0 C-N-CA 122.673 0.389 . . . . 0.0 109.977 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -151.3 106.69 3.34 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.29 -97.66 0.34 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -173.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -125.35 0.31 7.68 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.21 160.06 32.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.45 116.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -79.2 111.73 15.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.25 121.52 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.92 149.52 19.38 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -134.52 145.14 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -134.22 102.0 5.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.51 155.28 49.38 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.49 151.8 53.64 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.062 2.508 . . . . 0.0 110.425 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.89 -5.31 5.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.218 -0.301 . . . . 0.0 110.608 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -8.9 36.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.239 1.016 . . . . 0.0 111.429 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.11 160.52 29.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 123.641 0.776 . . . . 0.0 109.388 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.87 16.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 111.541 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.19 132.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -157.25 167.83 29.19 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.75 0.31 . . . . 0.0 111.025 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -70.87 160.21 33.22 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -66.06 -23.58 66.56 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.995 -0.441 . . . . 0.0 110.437 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.11 -2.89 57.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.415 0.686 . . . . 0.0 111.908 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.3 mm -119.31 -34.16 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 124.063 0.945 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.59 -38.6 72.24 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.921 0.328 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.06 -20.88 66.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.48 -0.137 . . . . 0.0 110.857 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.99 -37.39 17.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.61 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -61.25 -18.62 18.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.875 0.761 . . . . 0.0 109.408 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -100.16 3.85 44.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.603 0.761 . . . . 0.0 111.389 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -128.64 -13.04 4.83 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.38 152.67 6.1 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.466 ' HA ' ' H41' ' B' ' 7' ' ' ' C' . 2.9 mm? -123.87 143.99 50.02 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.571 0.685 . . . . 0.0 111.238 -171.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -144.04 2.16 1.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 109.3 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.76 72.47 7.29 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 124.682 1.193 . . . . 0.0 108.587 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.12 179.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.61 1 C-N-CA 125.584 4.189 . . . . 0.0 114.505 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 CA--C 1.534 0.33 0 C-N-CA 124.312 1.045 . . . . 0.0 112.908 179.489 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.421 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.468 -3.232 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.461 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.188 -3.512 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.488 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.364 -3.336 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.488 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.389 -3.311 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.593 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.207 -3.493 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.593 " H5'" HO2' ' D' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.073 -3.627 . 0.623 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.746 -2.954 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.5 ' C4 ' H5'' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 111.829 3.629 OUTLIER-DELTA 0.173 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C5'-C4'-C3' 108.843 -4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.515 ' H41' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.112 -3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 110.546 2.346 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 O5'-C5'-C4' 113.146 2.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 C3'-C2'-C1' 104.608 3.453 . 0.205 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 O4'-C1'-N19 111.582 3.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.574 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 C5'-C4'-C3' 112.122 -2.252 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 1 C5'-C4'-C3' 108.433 -4.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.825 -2.875 . 0.08 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.551 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.009 -3.691 . 0.799 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.572 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.963 -2.737 . 0.705 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.572 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.74 -2.96 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.51 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 C4'-C3'-C2' 99.714 -2.986 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.491 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 110.791 2.591 . 0.749 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 tpp . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 108.89 11.82 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.81 144.65 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.01 134.57 26.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -92.01 147.05 23.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -150.31 141.67 23.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 8.9 tptm -90.82 151.56 21.12 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 m -57.4 135.4 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.46 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.22 -0.767 . . . . 0.0 112.851 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -114.89 -175.72 2.75 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.41 1.105 . . . . 0.0 110.74 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -141.38 170.61 15.41 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -144.36 165.45 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.346 1.859 . . . . 0.0 107.458 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -137.57 153.42 49.95 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.507 -0.745 . . . . 0.0 112.069 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.8 mt -142.97 142.62 25.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -141.14 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.95 11.36 5.58 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.308 0.643 . . . . 0.0 110.301 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.55 7.56 2.8 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.768 0.827 . . . . 0.0 111.615 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.52 147.7 33.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 CA-C-N 119.277 0.944 . . . . 0.0 110.274 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.2 m -139.83 154.46 47.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.23 149.14 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m -140.41 149.18 42.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.18 89.26 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 mt -65.13 -32.19 73.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.298 -173.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.4 -170.45 36.41 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.631 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.18 164.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 123.075 0.55 . . . . 0.0 109.752 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -152.75 86.97 1.27 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.92 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.57 0.16 35.94 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -75.78 160.19 30.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.153 0.501 . . . . 0.0 110.449 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -142.37 120.5 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 27.3 mtm180 -83.74 121.18 26.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 169.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.19 142.55 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.87 151.29 18.04 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.06 145.11 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.62 103.73 5.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.14 155.57 58.3 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.171 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.0 152.12 62.64 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.002 2.468 . . . . 0.0 110.346 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.538 ' HB3' ' HZ3' ' A' ' 38' ' ' LYS . 4.4 mmmp? -65.41 -3.55 4.43 Favored 'General case' 0 CA--C 1.528 0.102 0 O-C-N 122.374 -0.204 . . . . 0.0 110.655 175.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.96 -11.2 55.92 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.193 0.997 . . . . 0.0 110.818 172.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.21 160.7 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.895 0.878 . . . . 0.0 109.594 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.24 157.24 17.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.977 0.418 . . . . 0.0 111.479 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.17 132.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -157.1 163.15 39.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.641 0.258 . . . . 0.0 111.635 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -64.47 161.76 16.57 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.4 -30.22 70.54 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -78.71 -9.01 59.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -112.13 -32.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 110.101 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.08 -37.15 71.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 117.777 0.262 . . . . 0.0 111.193 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.62 -20.88 66.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.085 -0.052 . . . . 0.0 110.984 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.26 -37.13 17.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.567 0.347 . . . . 0.0 111.334 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.83 -17.22 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -101.63 5.08 41.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.694 0.797 . . . . 0.0 111.395 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.26 -23.97 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.68 151.82 5.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.03 -30.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -175.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.8 p 42.74 17.24 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -70.12 -29.05 1.52 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -175.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 88.5 Cg_exo -49.88 167.93 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.637 2.891 . . . . 0.0 114.554 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.87 0.868 . . . . 0.0 112.249 -178.807 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 100.072 -2.628 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.453 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.385 -3.315 . 0.823 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.453 " H5'" HO2' ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.636 -3.064 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.472 -3.228 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 98.906 -3.794 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.637 HO2' " H5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 111.969 3.769 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.637 " H5'" HO2' ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 98.849 -3.851 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 C5'-C4'-C3' 108.187 -4.876 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.525 ' H41' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C5'-C4'-C3' 110.971 -3.019 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.915 -2.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 P-O3'-C3' 122.029 1.941 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 0 C5'-C4'-C3' 111.47 -2.687 . 0.191 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 N19-C1'-C2' 110.046 -2.096 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 2 C5'-C4'-C3' 108.12 -4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C4'-C3'-C2' 99.829 -2.871 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.571 HO2' " H5'" ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.249 -3.451 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.571 " H5'" HO2' ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.794 -2.906 . 0.72 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.509 HO2' " H5'" ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.747 -2.953 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.509 " H5'" HO2' ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C4'-C3'-C2' 99.363 -3.337 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.874 -2.826 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.84 107.96 10.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.51 143.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.83 134.4 26.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -97.8 147.19 24.65 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.506 ' HE ' ' CG2' ' C' ' 22' ' ' ILE . 8.1 ptt180 -152.1 -178.0 6.51 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.771 173.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.83 153.14 46.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -173.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.76 124.18 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.997 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.8 3.45 30.23 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.475 -0.625 . . . . 0.0 112.677 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -110.86 -176.54 2.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.245 1.022 . . . . 0.0 111.628 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -149.03 167.59 25.42 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.971 0.508 . . . . 0.0 112.332 -174.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 mt -145.61 164.47 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.725 1.61 . . . . 0.0 107.855 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -130.7 153.53 48.89 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.386 0.612 . . . . 0.0 111.736 -175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -142.99 139.6 27.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.19 -140.53 35.63 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -130.08 11.88 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.323 0.649 . . . . 0.0 110.462 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -137.32 7.98 2.88 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.647 0.779 . . . . 0.0 112.306 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.96 143.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.047 0.84 . . . . 0.0 110.577 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -139.84 154.36 47.3 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.43 149.26 32.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -140.41 153.15 46.22 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 122.871 0.468 . . . . 0.0 110.123 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . 0.506 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 3.3 tp -112.4 97.76 6.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.92 -30.14 65.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.449 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.53 -169.83 35.05 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.08 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.77 165.75 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 123.036 0.534 . . . . 0.0 110.26 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.96 101.45 2.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.91 -111.69 4.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -170.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.402 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 2.0 mp0 -107.97 0.24 21.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 122.749 0.419 . . . . 0.0 111.183 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -79.45 157.44 27.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.9 t -143.07 118.92 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -78.91 114.67 18.04 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 mt -114.44 141.06 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.57 150.48 18.06 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -136.32 145.45 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -135.62 103.53 5.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.62 155.62 52.85 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.366 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.11 151.1 61.04 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.367 2.711 . . . . 0.0 110.25 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.51 -3.83 3.44 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.305 -0.247 . . . . 0.0 110.417 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.21 -11.36 57.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.957 0.903 . . . . 0.0 111.126 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.97 160.37 33.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 123.679 0.791 . . . . 0.0 109.663 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.31 156.59 16.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.731 0.301 . . . . 0.0 111.339 -175.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 131.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -157.1 164.11 38.24 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 122.816 0.446 . . . . 0.0 110.762 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.75 163.25 27.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -64.64 -24.74 67.68 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -172.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -86.69 -3.76 59.08 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.919 0.781 . . . . 0.0 112.166 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 mm -112.31 -33.65 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 C-N-CA 123.141 0.576 . . . . 0.0 109.896 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.89 -39.54 71.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.0 0.364 . . . . 0.0 110.962 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.43 -20.69 65.78 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.886 0.116 . . . . 0.0 110.948 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -86.76 -35.77 18.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.734 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.17 -18.67 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.67 0.668 . . . . 0.0 109.268 177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -99.42 5.42 46.3 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.503 0.721 . . . . 0.0 111.22 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.8 -13.24 3.28 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.33 152.09 6.07 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.525 ' HA ' ' H41' ' B' ' 7' ' ' ' C' . 2.8 mm? -124.17 145.64 49.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.691 0.746 . . . . 0.0 110.983 -171.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 53.9 p -144.06 -0.53 1.01 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.458 1.103 . . . . 0.0 110.214 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.428 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -150.93 55.9 1.87 Allowed Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 124.028 0.931 . . . . 0.0 110.384 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 75.2 Cg_exo -47.54 -32.62 16.1 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 124.122 3.215 . . . . 0.0 115.518 -176.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -173.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C4'-C3'-C2' 99.928 -2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.364 -3.336 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.501 HO2' " H5'" ' D' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.364 -3.336 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . 0.501 " H5'" HO2' ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.444 -3.256 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 98.97 -3.73 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 111.893 3.693 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.358 -3.342 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.59 HO2' " H5'" ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 O4'-C1'-N19 112.298 4.098 . 0.035 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . 0.59 " H5'" HO2' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.239 -3.461 . 0.041 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C5'-C4'-C3' 110.046 -3.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 110.9 2.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 P-O3'-C3' 121.874 1.811 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 C3'-C2'-C1' 104.368 3.187 . 0.145 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 110.757 2.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.518 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-C3' 112.205 -2.197 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 1 C5'-C4'-C3' 108.206 -4.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.55 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C4'-C3'-C2' 99.728 -2.972 . 0.893 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.55 " H5'" HO2' ' D' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.195 -3.505 . 0.78 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.538 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.743 -2.957 . 0.725 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.538 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.654 -3.046 . 0.773 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.528 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.436 -3.264 . 0.811 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.492 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 100.03 -2.67 . 0.768 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.23 111.29 15.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.05 147.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.079 0.552 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.75 158.42 43.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -122.27 138.54 54.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.96 144.18 22.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.466 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -82.74 159.93 22.44 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.268 1.027 . . . . 0.0 108.961 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.37 145.81 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.568 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 -2.22 86.23 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.901 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -97.08 -171.93 2.33 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.636 1.218 . . . . 0.0 112.128 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m -142.35 158.3 43.86 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.48 0.712 . . . . 0.0 111.256 -169.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.8 mm -146.7 165.2 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.6 1.56 . . . . 0.0 107.203 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -139.75 153.4 47.17 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.975 0.807 . . . . 0.0 112.51 -175.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.47 146.36 20.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.617 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 -142.39 39.03 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -128.43 10.56 6.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.595 0.758 . . . . 0.0 109.525 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.72 10.19 1.8 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.59 0.756 . . . . 0.0 111.782 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.83 145.39 35.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.093 0.86 . . . . 0.0 110.883 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 m -137.35 154.23 50.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -132.73 148.24 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -135.79 154.79 51.1 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -118.19 96.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.61 -29.35 69.37 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.509 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.85 -170.99 33.16 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.216 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.13 162.28 40.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.113 0 C-N-CA 122.661 0.384 . . . . 0.0 110.412 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -150.78 105.47 3.28 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.36 -97.08 0.36 Allowed Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 -173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.37 -0.71 6.96 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 123.179 0.592 . . . . 0.0 110.864 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 27.6 mt-30 -72.9 154.38 40.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 172.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.47 114.16 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -77.93 101.98 7.1 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 171.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -99.31 146.44 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.37 150.2 16.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' C' ' 1' ' ' MET . 68.2 mt -135.13 144.89 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -135.29 102.0 5.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.58 153.96 55.63 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.118 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.7 152.09 64.17 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.995 2.464 . . . . 0.0 110.421 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.54 -3.11 4.03 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.332 -0.23 . . . . 0.0 110.416 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.59 -11.87 59.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.155 0.982 . . . . 0.0 110.732 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.94 161.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.094 0.958 . . . . 0.0 109.317 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.84 157.53 17.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.859 0.362 . . . . 0.0 111.324 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.13 136.26 7.47 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -157.91 164.43 36.89 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.457 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.435 HH12 ' N2 ' ' D' ' 5' ' ' ' G' . 25.3 ptt180 -74.44 163.23 28.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 169.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.09 -23.82 66.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.37 0.1 56.57 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.333 0.515 . . . . 0.0 111.839 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -118.29 -33.85 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 123.712 0.805 . . . . 0.0 109.458 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.17 -46.72 72.4 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.217 -0.302 . . . . 0.0 110.72 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -61.34 -24.24 66.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.01 0.524 . . . . 0.0 111.464 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.99 -43.13 55.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.06 -20.63 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -85.8 -8.33 58.18 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.385 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.79 -15.35 32.56 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.2 0.6 . . . . 0.0 109.434 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.17 138.61 2.38 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.22 1.39 . . . . 0.0 112.42 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.626 HD21 ' H ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -176.7 -169.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.201 1.0 . . . . 0.0 109.582 -176.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 m -142.36 52.38 1.45 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.626 ' H ' HD21 ' A' ' 55' ' ' LEU . . . 37.68 62.48 3.77 Favored Pre-proline 0 C--N 1.342 0.254 0 C-N-CA 124.253 1.021 . . . . 0.0 109.504 -169.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.78 161.87 0.8 Allowed 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.449 3.432 . . . . 0.0 116.104 -167.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.782 -178.678 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.419 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C5'-C4'-C3' 111.58 -2.613 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.419 " H5'" HO2' ' B' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.296 -3.404 . 0.839 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.496 HO2' " H5'" ' B' ' 1' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 99.6 -3.1 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . 0.496 " H5'" HO2' ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 99.543 -3.157 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.623 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 98.839 -3.861 . 0.641 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.623 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.69 3.49 . 0.582 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.526 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.277 -3.423 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.53 HO2' " H5'" ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.831 3.631 . 0.102 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . 0.53 " H5'" HO2' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.073 -3.627 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.355 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C3'-C2'-C1' 103.495 2.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 O5'-C5'-C4' 113.111 2.079 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.958 0 C3'-C2'-C1' 104.527 3.364 . 0.179 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O4'-C1'-N19 111.469 3.269 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.571 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 111.848 -2.434 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 1 C5'-C4'-C3' 108.375 -4.75 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.554 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.592 -3.108 . 0.237 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.554 " H5'" HO2' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.053 -3.647 . 0.738 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.522 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.003 -2.697 . 0.713 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.522 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.817 -2.883 . 0.766 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.471 HO2' " H5'" ' B' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.62 -3.08 . 0.794 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.471 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.945 -2.755 . 0.786 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 45.6 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.754 -0.165 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.69 110.89 14.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 174.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.28 145.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.322 0.649 . . . . 0.0 109.628 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.96 134.62 26.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -93.82 145.66 24.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.593 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 1.3 tpm_? -149.16 131.15 15.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.426 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.409 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.4 tptm -80.98 147.69 30.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -55.56 138.39 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.151 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.67 -9.39 55.46 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.062 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -101.3 -174.46 2.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.369 1.085 . . . . 0.0 111.151 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.44 169.67 17.24 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -145.94 165.44 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 107.64 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -138.63 153.66 48.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.509 -0.745 . . . . 0.0 112.084 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -143.21 144.78 23.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.5 -139.84 44.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.98 10.26 5.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.564 0.745 . . . . 0.0 109.373 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -141.87 8.92 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.742 0.817 . . . . 0.0 111.995 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.7 147.01 33.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 119.132 0.878 . . . . 0.0 111.098 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -138.78 155.22 48.36 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.368 1.067 . . . . 0.0 108.226 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.88 147.06 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -142.72 119.63 11.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -76.51 91.19 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.87 -31.19 72.3 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.053 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.42 -170.29 33.96 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.866 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.06 165.2 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.604 0.361 . . . . 0.0 110.475 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -153.21 105.06 2.85 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.26 -96.66 0.41 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -126.1 1.17 7.2 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 123.498 0.719 . . . . 0.0 110.587 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -72.62 160.61 31.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.95 120.61 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -83.77 120.77 26.44 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 170.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -123.9 122.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.77 147.2 18.51 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 108.104 -1.998 . . . . 0.0 108.104 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.14 144.33 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -135.56 105.1 6.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.98 156.33 51.25 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.098 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.34 152.83 55.72 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.064 2.51 . . . . 0.0 110.007 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.489 ' HZ1' ' HB3' ' C' ' 38' ' ' LYS . 4.6 mmmp? -65.37 -5.08 6.53 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.025 -0.422 . . . . 0.0 110.407 175.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -68.14 -8.02 34.88 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.721 0.809 . . . . 0.0 110.893 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.12 160.66 29.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 C-N-CA 123.601 0.761 . . . . 0.0 109.615 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.61 16.64 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.694 -176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 130.02 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -157.56 171.26 20.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 112.001 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -72.94 162.33 29.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.21 -34.26 76.13 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.027 -0.421 . . . . 0.0 110.773 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -78.83 -9.75 59.57 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -106.58 -32.49 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 C-N-CA 123.395 0.678 . . . . 0.0 109.659 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.57 -41.9 77.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.213 -0.305 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.35 -21.18 66.11 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.349 -0.22 . . . . 0.0 111.323 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -84.39 -36.12 22.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.332 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.26 -18.59 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -98.92 3.81 47.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.315 0.646 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.49 -13.47 4.31 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.55 5.71 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -126.74 160.14 31.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.427 -0.454 . . . . 0.0 111.225 -172.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -142.56 -0.02 1.25 Allowed 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.991 0.916 . . . . 0.0 110.778 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -152.27 59.92 3.25 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 123.254 0.621 . . . . 0.0 110.554 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 56.5 Cg_exo -53.58 173.47 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.871 3.047 . . . . 0.0 113.801 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.44 0.696 . . . . 0.0 112.361 -179.73 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.421 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C5'-C4'-C3' 111.302 -2.798 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.421 " H5'" HO2' ' D' ' -3' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C4'-C3'-C2' 99.224 -3.476 . 0.821 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.615 -3.085 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.339 -3.361 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.587 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.093 -3.607 . 0.663 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.659 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 O4'-C1'-N19 111.667 3.467 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.659 " H5'" HO2' ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.726 3.526 . 0.352 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.587 HO2' " C5'" ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 112.151 3.951 . 0.088 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . 0.587 " C5'" HO2' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 99.718 -2.982 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.476 ' H41' ' HG ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C5'-C4'-C3' 109.888 -3.741 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C3'-C2'-C1' 103.806 2.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O5'-C5'-C4' 112.924 1.946 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C3'-C2'-C1' 104.27 3.077 . 0.113 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 110.652 2.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.548 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C5'-C4'-C3' 111.849 -2.434 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 C5'-C4'-C3' 108.266 -4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.515 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.799 -2.901 . 0.301 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.554 HO2' " H5'" ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.394 -3.306 . 0.791 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.554 " H5'" HO2' ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 100.033 -2.667 . 0.712 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.526 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.601 -3.099 . 0.775 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.524 " H5'" HO2' ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.753 -2.947 . 0.803 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.501 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.96 -2.74 . 0.778 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 46.9 tpp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.642 -0.133 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.36 108.79 11.15 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.75 146.44 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.144 0.578 . . . . 0.0 109.446 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -141.93 158.97 43.15 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 174.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 p -120.89 141.61 50.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.429 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.3 mmp_? -144.69 134.4 23.54 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -76.62 154.08 34.69 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 m -59.58 131.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 118.617 -1.233 . . . . 0.0 110.118 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.64 -16.03 37.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.583 0.611 . . . . 0.0 112.419 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -84.76 -178.7 6.93 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.027 0.913 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -143.26 167.42 22.17 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.451 0.643 . . . . 0.0 112.507 -174.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mm -142.98 165.2 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.364 1.865 . . . . 0.0 107.627 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.11 153.97 46.87 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.628 -0.67 . . . . 0.0 112.297 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -143.37 142.96 25.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.07 0.948 . . . . 0.0 108.701 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -140.74 41.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.38 10.8 5.31 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.279 0.632 . . . . 0.0 109.858 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -138.99 8.29 2.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.736 0.815 . . . . 0.0 112.024 -177.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.63 146.24 34.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 118.782 0.719 . . . . 0.0 110.605 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.0 m -138.15 155.11 49.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.339 1.055 . . . . 0.0 108.233 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mm -136.3 148.5 27.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.6 m -144.01 129.8 19.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -82.48 93.04 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.96 -30.62 71.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.07 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.25 -169.18 33.72 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.811 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.24 162.42 39.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.776 0.43 . . . . 0.0 110.191 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -152.9 94.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.55 -123.97 9.37 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 -170.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.22 2.0 45.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -79.63 160.36 26.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.06 120.12 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.51 117.41 20.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.08 128.95 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.07 150.13 16.82 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -134.05 145.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.66 103.46 5.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.92 154.02 54.54 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 123.867 0.867 . . . . 0.0 108.7 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -66.57 150.47 83.91 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.782 2.321 . . . . 0.0 109.39 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.626 ' HE2' ' N3 ' ' D' ' 9' ' ' ' G' . 0.3 OUTLIER -63.73 -5.86 4.78 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.176 -0.327 . . . . 0.0 110.208 177.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.96 -10.73 41.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.921 1.288 . . . . 0.0 111.531 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -136.48 159.39 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.15 153.72 17.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.323 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -153.41 132.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -155.86 164.14 38.9 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 122.897 0.479 . . . . 0.0 110.017 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -77.52 160.24 28.76 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.1 -24.16 66.03 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -169.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -85.98 -5.6 59.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.241 0.928 . . . . 0.0 111.965 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -111.3 -33.85 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.31 0.644 . . . . 0.0 109.715 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.7 -40.5 72.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.054 0.388 . . . . 0.0 111.163 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -64.13 -20.48 66.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.232 0.213 . . . . 0.0 111.145 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -85.88 -36.58 19.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.142 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.15 -18.8 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -99.56 4.29 45.81 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.312 0.645 . . . . 0.0 111.409 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.92 -13.46 4.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.94 149.94 5.48 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HA ' ' H41' ' D' ' 7' ' ' ' C' . 2.8 mm? -122.7 161.89 23.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.345 0.573 . . . . 0.0 111.056 -172.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -142.55 1.82 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.217 1.007 . . . . 0.0 110.501 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -149.68 58.96 3.56 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 123.356 0.663 . . . . 0.0 110.699 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 52.2 Cg_exo -56.04 178.2 0.12 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.893 3.062 . . . . 0.0 113.441 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 123.626 0.77 . . . . 0.0 111.896 176.114 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -3' ' ' ' G' . . . . . 0.442 HO2' " H5'" ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.569 -3.131 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -2' ' ' ' G' . . . . . 0.452 HO2' " H5'" ' B' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.42 -3.28 . 0.807 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -1' ' ' ' G' . . . . . 0.452 " H5'" HO2' ' B' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.399 -3.301 . 0.795 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C4'-C3'-C2' 99.557 -3.143 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.644 HO2' " H5'" ' B' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 98.812 -3.888 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' U' . . . . . 0.644 " H5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.827 3.627 . 0.536 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.521 HO2' " H5'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 99.196 -3.504 . 0.428 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' G' . . . . . 0.521 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 O4'-C1'-N19 111.392 3.192 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 C5'-C4'-C3' 109.263 -4.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C3'-C2'-C1' 104.015 2.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 P-O3'-C3' 122.015 1.929 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 104.438 3.264 . 0.177 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 110.966 2.766 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' A' . . . . . 0.545 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.481 -2.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.397 1 C5'-C4'-C3' 108.722 -4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ' A' . . . . . 0.546 HO2' " H5'" ' B' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.522 -3.178 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ' C' . . . . . 0.546 " H5'" HO2' ' B' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.18 -3.52 . 0.745 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ' A' . . . . . 0.562 HO2' " H5'" ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 100.033 -2.667 . 0.726 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ' C' . . . . . 0.562 " H5'" HO2' ' B' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.685 -3.015 . 0.763 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.514 " H5'" HO2' ' B' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.641 -3.059 . 0.785 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ' C' . . . . . 0.507 " H5'" HO2' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 100.223 -2.477 . 0.77 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.33 106.11 9.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.41 144.87 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.363 0.665 . . . . 0.0 109.258 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.22 134.56 27.82 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -93.24 147.87 22.53 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -149.74 135.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.44 149.42 25.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.25 129.05 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.0 0.56 35.94 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.999 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -112.92 -174.91 2.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.495 1.148 . . . . 0.0 110.687 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -140.82 170.49 15.65 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.0 mt -144.35 165.36 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.643 1.977 . . . . 0.0 107.691 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -139.75 153.74 47.25 Favored 'General case' 0 C--N 1.338 0.093 0 O-C-N 121.707 -0.621 . . . . 0.0 112.252 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -143.25 142.73 25.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.39 -141.31 34.9 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.73 11.23 5.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.356 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -136.58 7.59 3.04 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.69 0.796 . . . . 0.0 111.881 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.81 146.67 33.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 CA-C-N 119.2 0.909 . . . . 0.0 110.594 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -138.42 155.59 48.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -136.54 149.23 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -141.53 151.21 43.05 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.02 90.17 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.04 -31.19 72.3 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.042 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.02 34.33 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.718 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.97 163.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.838 0.455 . . . . 0.0 110.151 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.0 t -153.24 107.2 3.06 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -96.72 0.3 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -126.12 -0.33 7.14 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.278 0.631 . . . . 0.0 110.449 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.22 160.64 32.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.09 120.21 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -80.97 116.51 20.97 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -117.34 136.86 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.81 149.96 18.42 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 1' ' ' MET . 69.2 mt -136.5 145.04 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -136.59 103.57 5.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.47 155.71 60.58 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.523 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.99 152.03 62.59 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.14 2.56 . . . . 0.0 110.144 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.557 ' HZ2' ' HB3' ' C' ' 38' ' ' LYS . 4.6 mmmp? -65.71 -2.12 3.36 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.202 -0.311 . . . . 0.0 110.755 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.99 -11.3 58.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.91 0.884 . . . . 0.0 110.781 172.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.37 160.72 31.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.7 0.8 . . . . 0.0 109.472 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.46 157.51 16.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.13 135.63 7.92 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -157.8 169.78 23.83 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.383 0.273 . . . . 0.0 111.248 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -72.02 157.55 37.6 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 170.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.88 -23.3 67.19 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.679 -0.638 . . . . 0.0 110.731 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.43 -4.39 58.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.327 0.651 . . . . 0.0 111.528 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mm -115.45 -35.04 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.288 0.635 . . . . 0.0 110.186 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.55 -37.61 70.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.997 -0.44 . . . . 0.0 110.975 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.76 -20.48 65.96 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 121.958 0.103 . . . . 0.0 110.893 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.14 -35.54 21.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.407 ' HA ' ' CD2' ' C' ' 55' ' ' LEU . 2.9 mp -67.69 -23.26 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -94.41 2.48 55.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.507 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -8.26 55.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.96 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.63 20.15 0.41 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 117.014 1.566 . . . . 0.0 117.014 176.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' C' ' 55' ' ' LEU . 0.0 OUTLIER -155.66 -164.81 1.82 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.152 1.476 . . . . 0.0 111.923 -167.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -118.82 -31.02 4.92 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.479 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -173.03 -41.31 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 C-N-CA 124.884 1.274 . . . . 0.0 111.054 168.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.479 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 40.5 Cg_exo -60.15 176.02 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.323 2.682 . . . . 0.0 113.153 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.765 177.368 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' -3' ' ' ' G' . . . . . 0.419 HO2' " H5'" ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.421 -3.279 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' -2' ' ' ' G' . . . . . 0.46 HO2' " H5'" ' D' ' -1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.338 -3.362 . 0.806 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' -1' ' ' ' G' . . . . . 0.46 " H5'" HO2' ' D' ' -2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.671 -3.029 . 0.797 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C4'-C3'-C2' 99.435 -3.265 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' ' G' . . . . . 0.6 HO2' " H5'" ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 C4'-C3'-C2' 98.632 -4.068 . 0.593 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ' U' . . . . . 0.637 HO2' " H5'" ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 98.823 -3.877 . 0.549 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' ' C' . . . . . 0.637 " H5'" HO2' ' D' ' 3' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.175 -3.525 . 0.332 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' ' G' . . . . . 0.528 " H5'" HO2' ' D' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 O4'-C1'-N19 111.261 3.061 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C5'-C4'-C3' 109.681 -3.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' ' C' . . . . . 0.406 ' H41' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.584 3.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.652 2.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ' G' . . . . . 0.626 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-O4' 112.251 2.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C3'-C2'-C1' 104.227 3.03 . 0.106 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 110.595 2.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ' A' . . . . . 0.52 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C5'-C4'-C3' 111.302 -2.799 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 1 C5'-C4'-C3' 108.503 -4.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ' A' . . . . . 0.563 HO2' " H5'" ' D' ' 15' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C4'-C3'-C2' 99.307 -3.393 . 0.868 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ' C' . . . . . 0.563 " H5'" HO2' ' D' ' 14' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.55 -3.15 . 0.728 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' ' A' . . . . . 0.552 HO2' " H5'" ' D' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.979 -2.721 . 0.733 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ' C' . . . . . 0.552 " H5'" HO2' ' D' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.871 -2.829 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ' C' . . . . . 0.507 HO2' " H5'" ' D' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.409 -3.291 . 0.801 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' ' C' . . . . . 0.507 " H5'" HO2' ' D' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C4'-C3'-C2' 100.022 -2.678 . 0.772 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.499 -0.185 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.72 104.96 9.31 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.45 148.13 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.09 163.81 31.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -125.35 138.99 54.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.601 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -146.55 133.72 20.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.128 -176.241 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' CD ' ' HG3' ' C' ' 29' ' ' GLN . 2.8 tptm -80.66 148.1 30.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.37 135.78 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.873 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.57 -5.98 44.64 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.016 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -108.06 -174.59 2.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.692 1.246 . . . . 0.0 110.753 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m -140.02 170.3 16.1 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -144.49 165.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.446 1.898 . . . . 0.0 107.471 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -138.1 153.89 49.25 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.463 -0.773 . . . . 0.0 112.12 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -142.27 143.72 25.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.85 40.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -129.76 10.79 5.6 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.316 0.646 . . . . 0.0 109.549 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.53 9.14 2.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.737 0.815 . . . . 0.0 111.736 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.73 147.02 32.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 119.14 0.882 . . . . 0.0 110.544 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -138.38 154.76 48.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 108.429 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.61 148.99 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -144.33 126.0 15.1 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -79.87 89.37 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -64.69 -30.47 71.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.297 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.609 174.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.37 163.47 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 122.795 0.438 . . . . 0.0 110.255 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -153.66 106.82 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.69 -97.35 0.41 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -126.14 -0.49 7.12 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.281 0.632 . . . . 0.0 110.677 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.88 160.42 32.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.2 119.51 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -79.31 119.83 22.92 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.84 124.58 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.32 148.48 18.89 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' C' ' 1' ' ' MET . 61.9 mt -136.19 145.04 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -136.28 103.32 5.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.28 57.76 Favored Pre-proline 0 N--CA 1.45 -0.432 0 C-N-CA 123.829 0.852 . . . . 0.0 108.873 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.43 151.04 64.98 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.109 2.539 . . . . 0.0 110.096 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.21 -2.09 2.72 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.113 -0.367 . . . . 0.0 110.48 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.92 -11.29 60.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.326 1.051 . . . . 0.0 110.733 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.16 160.49 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.663 0.785 . . . . 0.0 109.409 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.75 157.29 16.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.377 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.36 133.79 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -156.6 170.72 21.73 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -72.77 160.24 32.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.12 -23.37 65.81 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.144 -0.347 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.69 -3.31 58.48 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.058 0.543 . . . . 0.0 111.654 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -119.03 -33.54 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 123.735 0.814 . . . . 0.0 110.137 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -56.71 -36.97 70.29 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 122.188 -0.32 . . . . 0.0 110.97 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -65.22 -20.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.475 -0.141 . . . . 0.0 111.147 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.08 -35.67 18.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.678 0.391 . . . . 0.0 111.396 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.4 110.63 13.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.82 146.48 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -141.03 159.92 41.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -118.62 142.48 47.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.61 127.99 14.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.096 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -76.48 150.81 36.6 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.3 140.15 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.795 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.55 -2.82 62.92 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.839 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -105.88 -175.19 2.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.489 1.144 . . . . 0.0 110.507 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -139.83 168.15 20.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -141.75 165.49 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 126.383 1.873 . . . . 0.0 107.537 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -140.29 153.54 46.51 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.516 -0.74 . . . . 0.0 112.683 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 108.744 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.62 -140.24 40.99 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.74 10.71 5.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.655 0.782 . . . . 0.0 109.681 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.67 8.95 1.97 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.491 0.716 . . . . 0.0 111.986 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 144.98 36.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 CA-C-N 119.205 0.912 . . . . 0.0 110.215 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -137.56 156.03 48.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -136.87 147.99 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.5 m -142.09 125.3 16.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -80.33 91.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -66.09 -31.4 72.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.932 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.0 -172.86 35.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.945 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.59 160.64 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 122.718 0.407 . . . . 0.0 110.444 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 p -153.14 113.93 4.09 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.79 -100.56 0.45 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -172.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.35 -0.48 7.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.866 0.466 . . . . 0.0 110.447 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.4 ' HG3' ' CD ' ' A' ' 7' ' ' LYS . 63.4 mt-30 -74.09 154.93 38.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -141.87 119.92 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 53.0 mtt85 -78.98 118.47 21.01 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 mt -121.58 119.54 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.44 151.9 20.03 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -136.1 145.01 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.48 104.7 5.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.3 154.84 50.07 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.732 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.12 151.93 61.77 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.883 2.389 . . . . 0.0 110.141 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.71 -2.28 3.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.338 -0.226 . . . . 0.0 110.522 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.13 -11.48 59.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.253 1.021 . . . . 0.0 110.919 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.12 160.6 32.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.918 0.887 . . . . 0.0 109.397 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 156.79 17.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.38 133.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -158.16 167.54 29.54 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 122.684 0.394 . . . . 0.0 110.975 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -69.75 160.54 31.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -67.05 -23.52 65.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.85 -5.45 59.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.894 0.478 . . . . 0.0 111.919 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 mm -115.52 -35.18 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 C-N-CA 123.749 0.82 . . . . 0.0 110.075 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -54.95 -37.72 66.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.931 0.332 . . . . 0.0 111.183 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.44 -20.56 66.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.098 0.159 . . . . 0.0 111.287 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -87.23 -31.54 20.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.589 0.356 . . . . 0.0 111.549 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.403 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 119.675 -0.202 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.65 109.18 11.81 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.3 145.34 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.81 134.97 25.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -93.62 143.69 26.07 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.621 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -146.41 129.38 16.4 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -78.62 146.38 34.15 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -56.41 123.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.55 -6.81 16.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.237 -0.757 . . . . 0.0 113.396 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -108.29 -174.69 2.58 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.844 1.322 . . . . 0.0 111.538 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 m -140.48 169.88 16.84 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -171.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.61 164.78 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.363 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -136.76 153.56 50.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.651 0.66 . . . . 0.0 111.689 -175.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -142.76 138.97 28.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.099 0.96 . . . . 0.0 108.73 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.89 -139.32 40.52 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.26 10.35 5.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.353 0.661 . . . . 0.0 110.176 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -138.0 7.91 2.72 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.327 0.651 . . . . 0.0 111.724 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.54 145.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.977 0.808 . . . . 0.0 110.592 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.2 m -138.69 154.74 48.61 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -133.95 148.93 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -142.08 144.51 33.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.74 90.69 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.55 -30.78 71.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.056 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.46 -167.58 33.54 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.25 167.22 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.226 0.536 . . . . 0.0 110.369 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -145.85 60.84 1.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.988 1.315 . . . . 0.0 107.864 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -114.42 3.83 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.461 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -94.67 -2.63 50.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.97 160.71 23.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -138.82 123.76 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -82.26 116.55 21.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -118.34 136.54 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.94 148.63 17.79 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.8 mt -134.55 145.16 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -136.4 103.67 5.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.59 155.88 56.63 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.779 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.81 152.07 57.89 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.529 2.152 . . . . 0.0 110.248 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.55 -4.39 5.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.052 -0.405 . . . . 0.0 110.47 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.07 -9.28 44.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.298 1.039 . . . . 0.0 111.332 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.87 160.65 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.585 0.754 . . . . 0.0 109.28 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.25 156.98 17.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 111.856 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.41 135.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -157.02 167.71 29.64 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 111.558 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -68.01 154.26 41.99 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 169.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.11 -23.85 67.26 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.562 0.619 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.04 -4.4 56.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.851 0.461 . . . . 0.0 111.742 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.24 -35.24 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 110.23 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -56.26 -37.05 69.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 117.89 0.314 . . . . 0.0 111.146 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.42 -20.68 66.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.483 -0.136 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -86.72 -36.19 18.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.551 0.34 . . . . 0.0 111.003 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 107.86 11.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.77 147.18 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -139.46 157.9 45.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -118.86 139.45 51.6 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.61 129.36 16.17 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.606 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.461 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 2.7 tptm -78.77 149.16 32.71 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.17 130.68 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.06 0.05 41.39 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.979 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -111.22 -176.38 2.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.323 1.062 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -140.64 169.76 17.05 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.39 165.33 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 126.142 1.777 . . . . 0.0 107.41 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -138.79 153.95 48.44 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.498 -0.751 . . . . 0.0 112.391 -176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -142.9 143.31 25.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.976 0.91 . . . . 0.0 108.853 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.25 -140.56 42.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.62 10.12 5.58 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.603 0.761 . . . . 0.0 109.702 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.73 9.7 1.99 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.393 0.677 . . . . 0.0 112.101 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.39 146.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.2 0 CA-C-N 119.045 0.839 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -137.43 154.24 49.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -134.46 149.1 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -141.46 150.86 42.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.66 88.25 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.13 -30.83 71.9 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.208 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.55 -168.46 33.75 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.945 175.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.93 161.83 40.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.0 p -153.5 98.23 2.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.62 -125.34 11.47 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -99.02 1.52 45.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.64 160.63 26.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -140.86 117.27 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -77.66 111.55 13.56 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -109.34 145.4 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.71 16.94 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -137.1 145.37 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -136.88 104.16 5.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.09 155.01 58.66 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.98 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 151.05 67.78 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.759 2.306 . . . . 0.0 110.198 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.12 -2.59 2.95 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.369 -0.207 . . . . 0.0 110.616 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.93 -11.34 58.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.307 1.043 . . . . 0.0 110.913 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 160.51 30.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 123.709 0.803 . . . . 0.0 109.526 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.53 156.18 17.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.13 132.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -157.62 166.84 31.81 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 122.389 0.275 . . . . 0.0 111.029 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.11 160.69 28.47 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -66.68 -23.72 66.17 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.032 -0.417 . . . . 0.0 110.519 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -85.85 -5.56 59.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.224 0.609 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.5 mm -114.22 -35.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 123.586 0.755 . . . . 0.0 109.875 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -54.94 -39.27 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.93 0.332 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.26 -20.72 66.55 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.89 -32.65 21.54 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.685 0.394 . . . . 0.0 111.65 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.404 HD12 ' N ' ' C' ' 51' ' ' ILE . 2.6 mp . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.3 tpp . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.829 -0.129 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.68 111.78 14.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.65 145.74 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.149 0.58 . . . . 0.0 109.692 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -143.13 134.74 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -90.2 146.45 24.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -149.52 131.15 14.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.977 -0.452 . . . . 0.0 110.65 178.484 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -80.29 147.7 31.04 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.8 m -56.61 127.29 15.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.24 -4.69 26.83 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.192 -0.782 . . . . 0.0 113.063 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.0 -174.73 2.54 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.665 1.233 . . . . 0.0 111.394 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -140.41 171.35 14.26 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -144.35 165.15 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.452 1.901 . . . . 0.0 107.253 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -136.82 153.76 50.71 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.907 0.776 . . . . 0.0 112.799 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -142.79 142.42 26.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.201 1.0 . . . . 0.0 108.375 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -140.8 34.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.08 11.38 5.51 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.13 0.572 . . . . 0.0 110.168 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -137.31 8.38 2.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.599 0.759 . . . . 0.0 111.771 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.74 146.85 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 119.28 0.946 . . . . 0.0 110.858 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -139.32 154.98 47.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -134.23 149.27 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 m -142.18 151.11 41.88 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.35 91.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.11 -30.41 70.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.149 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.36 -171.1 34.6 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.264 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -135.31 164.33 33.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 122.626 0.371 . . . . 0.0 110.532 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -153.55 109.03 3.22 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.91 -98.01 0.33 Allowed Glycine 0 C--N 1.333 0.41 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.13 3.5 7.17 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 110.474 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 16.6 mt-30 -74.14 160.27 31.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.91 118.78 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -81.4 119.22 23.42 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -119.35 140.06 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 149.07 18.67 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' C' ' 1' ' ' MET . 63.0 mt -134.92 144.4 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.54 103.68 5.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.12 155.71 58.35 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.162 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.19 151.48 60.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.869 2.379 . . . . 0.0 110.037 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.39 -5.03 6.46 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.238 -0.289 . . . . 0.0 110.401 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -67.35 -8.59 33.78 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.4 1.08 . . . . 0.0 111.39 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.67 161.42 30.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.484 0.713 . . . . 0.0 109.433 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.2 156.93 17.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 111.5 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.13 132.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -157.16 165.25 36.52 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtp-105 -64.86 154.29 37.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.1 -23.95 67.51 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.88 -0.512 . . . . 0.0 112.288 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.5 -8.41 54.91 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.223 0.465 . . . . 0.0 111.717 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -102.76 -35.48 3.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 123.376 0.67 . . . . 0.0 109.728 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.96 -43.15 73.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.856 0.298 . . . . 0.0 110.661 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -64.01 -20.41 65.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.051 0.14 . . . . 0.0 111.061 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -84.89 -36.23 21.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.194 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.056 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.8 tpp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 119.999 -0.048 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 110.0 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 176.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.23 145.12 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.38 135.07 26.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -96.8 147.08 24.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.11 161.81 41.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.49 174.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.402 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 2.5 tptm -103.26 152.6 21.32 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -56.21 131.12 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.487 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.99 -7.92 33.3 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.174 -0.792 . . . . 0.0 113.682 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -98.75 -179.1 4.19 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.813 1.307 . . . . 0.0 112.562 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m -139.84 166.07 25.62 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mt -144.11 165.4 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 126.298 1.839 . . . . 0.0 107.959 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.09 153.08 52.15 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-O 121.511 0.672 . . . . 0.0 112.383 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.22 143.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 124.625 1.17 . . . . 0.0 108.055 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.52 -140.49 36.96 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -130.25 10.67 5.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.455 0.702 . . . . 0.0 110.177 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -137.41 9.26 2.92 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.614 0.766 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.56 146.72 33.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.089 0.859 . . . . 0.0 110.69 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -139.43 155.62 47.49 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -133.75 149.22 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -140.29 152.1 45.61 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -112.2 86.11 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.46 -28.54 69.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.81 -168.82 32.92 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.723 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.8 163.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 122.723 0.409 . . . . 0.0 110.033 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -152.65 89.24 1.39 Allowed 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.29 -120.53 7.15 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.88 1.72 43.14 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 117.12 0.46 . . . . 0.0 109.84 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.4 160.5 26.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -140.65 118.32 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -80.14 113.16 18.11 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.19 142.34 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 149.56 18.63 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.3 mt -134.73 144.94 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -136.41 103.34 5.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.72 155.22 59.91 Favored Pre-proline 0 N--CA 1.454 -0.269 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.114 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.74 152.04 58.27 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.716 2.277 . . . . 0.0 109.71 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.92 -4.26 6.63 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.291 -0.255 . . . . 0.0 110.538 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.7 -9.05 40.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.338 1.055 . . . . 0.0 110.976 171.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.93 160.63 29.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 123.693 0.797 . . . . 0.0 109.454 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.83 156.6 17.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.277 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.34 136.82 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -155.24 166.59 33.09 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.54 0.686 . . . . 0.0 111.597 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -70.68 150.73 45.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -62.15 -23.88 66.84 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.51 -0.744 . . . . 0.0 112.323 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -86.18 -0.83 56.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.966 -0.459 . . . . 0.0 111.679 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 mm -117.5 -34.65 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 124.447 1.099 . . . . 0.0 110.09 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -56.31 -38.82 71.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.041 0.382 . . . . 0.0 110.687 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.41 -20.98 66.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 122.469 -0.144 . . . . 0.0 110.979 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -84.29 -37.1 22.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.394 0.278 . . . . 0.0 111.351 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.223 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.779 -0.082 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.65 110.11 11.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.91 147.75 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.76 161.09 38.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.13 139.54 53.2 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -146.64 135.6 22.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.303 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.1 tptm -81.86 149.39 28.32 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.97 138.55 16.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.846 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.63 -1.42 58.38 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.983 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -110.67 -177.12 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.394 1.097 . . . . 0.0 110.828 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 m -138.01 170.57 15.81 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -144.36 165.83 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.277 1.831 . . . . 0.0 107.106 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.18 153.6 50.4 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.014 0.825 . . . . 0.0 112.119 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -144.69 140.22 23.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.691 0.797 . . . . 0.0 109.089 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.02 -140.15 39.43 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.36 10.93 5.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 110.519 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -139.06 8.56 2.5 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.732 0.813 . . . . 0.0 111.976 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.75 146.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-N 119.112 0.869 . . . . 0.0 110.497 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -140.32 156.86 46.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.03 149.12 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -142.28 127.33 18.45 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.64 93.91 2.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.03 -30.74 70.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.698 -174.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.88 -170.82 35.4 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.979 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.64 160.51 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.976 0.51 . . . . 0.0 109.767 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -148.02 82.61 1.5 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 -115.35 4.35 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -101.81 0.21 35.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.53 158.94 28.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.887 0.375 . . . . 0.0 110.084 172.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.5 122.41 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -83.64 121.64 27.53 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -121.96 127.78 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.72 150.65 17.58 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -135.02 145.16 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -135.21 103.51 5.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.44 53.55 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.089 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.7 153.37 54.01 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.124 2.55 . . . . 0.0 110.289 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? -66.09 -2.62 4.32 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.08 -0.387 . . . . 0.0 110.633 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.84 -11.33 60.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.811 0.844 . . . . 0.0 110.627 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.31 161.27 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.8 0.84 . . . . 0.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.78 157.46 17.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 111.548 -175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.47 134.04 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.05 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -157.17 168.96 25.89 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.375 0.27 . . . . 0.0 111.427 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -70.3 161.13 30.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -66.44 -23.82 66.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.98 -7.41 59.16 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.828 0.451 . . . . 0.0 112.034 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -114.14 -33.25 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 123.648 0.779 . . . . 0.0 109.953 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -57.03 -36.92 71.02 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.207 -0.308 . . . . 0.0 110.821 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.08 -20.83 66.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.43 -0.169 . . . . 0.0 110.9 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.69 -36.78 18.52 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.51 0.324 . . . . 0.0 111.303 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.83 108.46 10.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.35 146.89 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.08 159.5 42.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -121.36 146.24 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.5 mmp_? -143.69 163.49 33.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 6.5 tptm -111.03 151.82 27.58 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -56.3 114.44 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.455 0.57 . . . . 0.0 110.159 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.08 6.08 10.24 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.666 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -116.13 -179.84 3.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.198 0.999 . . . . 0.0 111.149 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.1 m -141.94 167.86 21.12 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -142.85 165.24 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 126.555 1.942 . . . . 0.0 107.077 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -137.89 153.28 49.57 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.447 -0.783 . . . . 0.0 112.202 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -142.2 142.22 27.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -140.05 36.77 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.35 12.68 5.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.472 0.709 . . . . 0.0 110.208 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -137.61 8.4 2.83 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.706 0.802 . . . . 0.0 111.93 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.13 145.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 119.296 0.953 . . . . 0.0 110.839 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.0 m -138.74 155.51 48.16 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.213 1.005 . . . . 0.0 108.408 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -135.1 147.95 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -143.64 130.98 20.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -86.37 99.93 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.43 -30.91 62.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.2 -173.92 36.08 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.599 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.6 160.72 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.97 0.385 . . . . 0.0 110.639 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.8 m -149.28 104.67 3.41 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.45 -98.82 0.42 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -123.3 -0.75 8.76 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.231 0.612 . . . . 0.0 110.558 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.414 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 66.9 mt-30 -73.88 155.14 39.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.37 120.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -78.8 121.03 24.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.47 128.51 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.71 149.38 17.68 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.2 mt -135.15 145.07 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.04 103.7 5.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.01 154.4 54.65 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.023 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.39 151.51 65.5 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.711 2.274 . . . . 0.0 110.226 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.2 -1.3 2.16 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.06 -0.4 . . . . 0.0 110.461 175.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.89 -10.66 59.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.202 1.001 . . . . 0.0 110.869 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.29 160.53 32.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.439 0.696 . . . . 0.0 109.602 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.71 156.24 17.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 111.282 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.53 134.27 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -158.0 173.84 16.14 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.688 0.28 . . . . 0.0 111.387 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -71.4 163.85 26.89 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -64.77 -31.01 72.05 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.217 -0.302 . . . . 0.0 110.761 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.12 -50.56 61.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.232 0.539 . . . . 0.0 110.432 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.75 -33.5 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.664 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -57.19 -42.54 81.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.69 -20.94 66.48 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.253 -0.28 . . . . 0.0 110.577 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -83.07 -37.89 23.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.41 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.042 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 108.26 10.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.43 145.14 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.31 0.644 . . . . 0.0 109.355 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.65 134.82 25.72 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -95.92 144.67 26.04 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -142.98 163.77 31.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 6.3 tptm -112.75 154.3 26.39 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -54.97 113.92 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 118.512 0.596 . . . . 0.0 110.604 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.23 -17.62 9.04 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 123.915 0.769 . . . . 0.0 112.608 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -81.25 -178.62 7.0 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.086 0.943 . . . . 0.0 111.638 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -142.99 168.54 19.46 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -143.94 165.95 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.067 1.747 . . . . 0.0 107.411 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -137.43 153.58 50.1 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.453 -0.78 . . . . 0.0 112.146 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.03 144.09 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -140.72 39.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.72 10.7 5.61 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.439 0.696 . . . . 0.0 109.657 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -140.8 8.95 2.15 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.442 0.697 . . . . 0.0 111.749 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 145.95 34.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.033 0.833 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -137.34 155.21 49.68 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -134.27 148.93 29.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.4 m -141.69 150.16 41.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -113.17 93.42 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.62 -29.99 71.01 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.191 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.38 -169.16 34.32 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 118.432 0.56 . . . . 0.0 113.128 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.46 163.12 37.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 109.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 p -152.94 93.94 1.8 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.8 -122.16 8.17 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.84 2.01 43.51 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -78.78 160.12 27.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.056 0.455 . . . . 0.0 109.998 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -142.22 120.3 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -80.42 121.73 26.09 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -121.03 146.2 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.6 152.19 16.87 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -137.07 145.41 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -135.16 104.95 6.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.75 154.92 48.35 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.136 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.51 151.7 53.4 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.038 2.492 . . . . 0.0 110.334 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -63.57 -4.46 2.92 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.12 -0.362 . . . . 0.0 110.669 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.81 -11.93 57.07 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.229 1.011 . . . . 0.0 110.928 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.16 160.24 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.613 0.765 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.48 154.58 18.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.321 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -153.62 128.74 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.059 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -156.61 163.52 39.24 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.26 159.79 23.0 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -66.0 -24.19 66.72 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.365 -0.209 . . . . 0.0 110.467 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.78 -5.96 59.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.815 0.446 . . . . 0.0 112.063 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -113.87 -35.48 2.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.099 0 C-N-CA 123.658 0.783 . . . . 0.0 110.249 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.28 -37.64 67.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.064 0.393 . . . . 0.0 111.282 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -65.49 -21.15 66.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.405 -0.184 . . . . 0.0 111.163 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -87.53 -31.76 19.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.975 0.51 . . . . 0.0 111.625 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.408 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 108.36 10.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 173.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.26 144.58 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.123 0.569 . . . . 0.0 109.48 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.06 134.35 26.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 172.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -95.78 149.17 21.8 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.14 164.56 38.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.145 174.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -106.58 151.55 24.88 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -55.64 122.48 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.35 -2.68 20.47 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 119.327 -0.707 . . . . 0.0 113.148 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -107.49 -179.97 4.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.672 1.236 . . . . 0.0 112.402 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -138.81 168.1 20.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -144.06 165.26 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.581 1.952 . . . . 0.0 107.653 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -133.01 153.3 51.61 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 121.288 0.566 . . . . 0.0 112.209 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -143.49 143.04 24.83 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.14 -140.7 35.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.38 12.39 5.48 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.807 0.843 . . . . 0.0 110.026 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -138.82 8.23 2.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.525 0.73 . . . . 0.0 111.903 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.93 146.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 118.921 0.782 . . . . 0.0 110.667 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.6 m -139.97 155.73 46.98 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.197 0.999 . . . . 0.0 108.441 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -133.36 149.2 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.091 0.956 . . . . 0.0 108.434 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.02 151.95 42.93 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 tp -112.64 88.96 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.59 -29.54 70.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.573 -174.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.87 -167.75 34.31 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.732 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.17 164.7 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 123.032 0.533 . . . . 0.0 109.953 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -146.54 78.68 1.51 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -114.58 4.2 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.406 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.8 mp0 -98.17 -1.32 42.43 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -75.29 160.42 30.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.045 0.45 . . . . 0.0 110.342 171.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -143.4 115.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -80.89 113.12 18.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.5 145.24 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.07 150.8 17.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.82 145.56 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -135.69 105.23 6.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.69 155.59 52.55 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 123.656 0.783 . . . . 0.0 109.532 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.14 152.74 62.39 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.858 2.372 . . . . 0.0 110.218 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.48 -3.01 3.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.319 0.248 . . . . 0.0 110.591 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.09 -10.66 55.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.52 0.728 . . . . 0.0 111.092 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.87 160.44 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 124.088 0.955 . . . . 0.0 109.858 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.88 156.01 17.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.611 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -152.93 132.7 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -157.06 169.13 25.5 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.674 0.389 . . . . 0.0 110.952 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -69.58 165.23 21.54 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -64.81 -24.05 67.43 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.703 0.229 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -74.09 -50.77 18.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.706 0.765 . . . . 0.0 110.228 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -72.33 -32.93 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.926 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.88 -43.53 77.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.925 0.33 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.88 -20.49 65.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.877 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.37 -38.73 26.16 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.47 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.535 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 tpp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 109.99 13.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.08 143.47 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.436 0.694 . . . . 0.0 109.3 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.62 134.86 27.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.1 p -93.45 146.42 23.77 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -145.46 137.54 25.57 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.303 0.641 . . . . 0.0 109.687 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 4.2 tptm -82.4 155.54 24.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 172.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.66 124.08 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 118.671 0.668 . . . . 0.0 109.932 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.37 -16.44 22.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.578 0.609 . . . . 0.0 112.437 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -83.15 -178.11 6.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.71 0.755 . . . . 0.0 111.167 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -142.21 166.81 23.68 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.95 165.42 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.505 1.922 . . . . 0.0 107.625 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.19 153.61 47.92 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.597 -0.69 . . . . 0.0 112.076 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -143.27 144.95 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.991 0.916 . . . . 0.0 108.545 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -140.35 37.36 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.07 10.76 5.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.362 0.665 . . . . 0.0 109.604 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -139.24 8.55 2.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.54 0.736 . . . . 0.0 111.752 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.43 145.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.935 0.788 . . . . 0.0 110.314 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -137.17 154.73 50.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -136.47 149.07 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -140.05 151.15 45.18 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.06 92.72 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.02 -31.73 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.178 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 -168.68 34.32 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.807 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.81 163.03 37.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.088 0.555 . . . . 0.0 109.85 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -148.73 80.77 1.44 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.56 -116.09 4.58 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -171.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.41 -0.82 40.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -76.6 159.46 30.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -142.66 118.68 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -81.38 117.58 21.96 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.39 142.61 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.82 150.85 17.01 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -135.93 145.24 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -136.16 104.19 5.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.04 155.61 58.64 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.336 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.31 151.75 66.12 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.087 2.525 . . . . 0.0 110.419 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.53 -2.14 3.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 122.274 -0.266 . . . . 0.0 110.642 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.19 -10.87 57.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.849 0.86 . . . . 0.0 110.698 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.87 160.79 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.934 0.893 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 157.01 17.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.49 0.186 . . . . 0.0 111.308 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 134.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -158.25 162.08 37.8 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.934 0.494 . . . . 0.0 110.37 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -74.94 159.01 32.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.23 -24.23 66.2 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 10.6 pt-20 -85.01 -4.26 59.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.938 -0.477 . . . . 0.0 112.027 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.99 -35.49 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.655 0.782 . . . . 0.0 109.64 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.98 -38.21 70.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.891 0.314 . . . . 0.0 111.148 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -65.22 -21.26 66.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.39 -0.193 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -83.6 -36.43 23.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.935 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 119.658 -0.21 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.66 109.31 11.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.74 145.12 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -143.35 134.88 26.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -94.72 148.09 22.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -145.54 164.32 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -111.55 152.67 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.4 114.92 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.531 0.605 . . . . 0.0 110.006 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.88 6.27 11.34 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.684 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -114.71 -176.4 2.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.119 0.96 . . . . 0.0 111.117 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.3 m -145.83 167.79 22.36 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.87 163.09 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.768 1.627 . . . . 0.0 107.363 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -134.67 153.39 52.01 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.376 0.67 . . . . 0.0 111.801 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.77 138.77 28.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.07 -139.61 40.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.1 10.88 5.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.242 0.617 . . . . 0.0 110.617 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -137.13 7.89 2.92 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.374 0.67 . . . . 0.0 112.038 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.81 144.38 37.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 CA-C-N 119.077 0.853 . . . . 0.0 110.721 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -139.81 156.46 46.73 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -135.03 149.09 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -142.04 128.08 19.61 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.74 92.67 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.75 -32.87 74.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.997 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -167.48 34.07 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.608 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.4 162.61 39.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -148.68 83.68 1.47 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.9 -116.17 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 -172.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.9 mp0 -101.61 0.99 37.28 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -79.31 160.58 26.72 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.28 120.06 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -81.43 119.03 23.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.78 129.01 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.15 150.11 17.67 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.07 144.86 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -136.2 104.03 5.51 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.6 155.17 56.82 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.855 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.93 150.72 67.56 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.871 2.381 . . . . 0.0 109.867 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -66.67 -1.12 3.4 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 122.316 -0.24 . . . . 0.0 110.414 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.57 -11.73 60.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.423 1.089 . . . . 0.0 110.909 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.34 160.69 31.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.86 0.864 . . . . 0.0 109.698 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.94 157.11 16.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.01 135.05 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -156.97 169.78 24.02 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.911 0.386 . . . . 0.0 111.458 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -71.47 160.26 33.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -68.41 -23.47 64.64 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.58 -6.34 59.42 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.66 0.384 . . . . 0.0 111.668 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.06 -36.05 2.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 123.717 0.807 . . . . 0.0 110.617 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.16 -37.62 69.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 122.479 -0.138 . . . . 0.0 111.109 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -65.39 -20.61 66.45 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.229 0.211 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -85.76 -35.86 20.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.421 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.62 110.79 12.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 176.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.73 145.74 7.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.338 0.655 . . . . 0.0 109.536 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.9 mt -141.4 158.99 43.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.04 143.61 48.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.0 mmp_? -145.65 135.02 23.05 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.262 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.9 153.84 30.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 171.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.7 129.73 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.245 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.21 -16.75 29.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.578 0.608 . . . . 0.0 112.46 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -84.59 -179.77 7.21 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.036 0.918 . . . . 0.0 111.334 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -140.66 167.41 22.24 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.9 mm -142.54 165.49 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.314 1.846 . . . . 0.0 107.597 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -138.98 153.33 48.16 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.627 -0.67 . . . . 0.0 112.286 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -143.5 145.37 22.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -140.29 42.92 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.23 10.76 5.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.642 0.777 . . . . 0.0 109.459 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -142.53 9.64 1.81 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.214 0.606 . . . . 0.0 111.864 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.07 145.72 35.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 118.904 0.775 . . . . 0.0 110.75 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -138.51 154.82 48.8 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.478 1.111 . . . . 0.0 108.259 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -135.68 148.23 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.6 m -143.03 124.38 14.67 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -77.7 96.24 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.87 -30.98 68.57 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.982 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.61 -174.01 35.67 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.074 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.39 160.71 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.758 0.279 . . . . 0.0 110.918 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.13 105.97 3.43 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -97.07 0.33 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 7.5 mm-40 -126.51 -0.54 6.87 Favored 'General case' 0 CA--C 1.524 -0.057 0 C-N-CA 123.414 0.685 . . . . 0.0 110.163 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 73.2 mt-30 -74.29 153.94 39.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.51 117.44 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.75 120.2 21.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -122.05 120.14 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.97 148.79 19.19 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.33 144.16 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.23 103.46 5.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.63 155.38 56.64 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.062 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.14 151.91 55.78 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.031 2.487 . . . . 0.0 110.079 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.19 -3.6 2.91 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.363 0.265 . . . . 0.0 110.493 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.04 -11.2 58.54 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.096 0.958 . . . . 0.0 110.905 173.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.45 160.8 31.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.578 0.751 . . . . 0.0 109.55 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.4 157.32 16.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.649 0.261 . . . . 0.0 111.475 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.34 133.93 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -157.59 168.47 27.17 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.626 0.37 . . . . 0.0 111.531 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -70.87 159.37 34.75 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -64.99 -23.68 67.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.616 -0.677 . . . . 0.0 111.001 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -87.11 0.08 55.83 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.853 0.461 . . . . 0.0 112.018 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.8 mm -119.03 -33.85 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 123.622 0.769 . . . . 0.0 109.801 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -56.43 -40.62 75.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.157 -0.339 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.23 -20.65 65.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 122.302 -0.249 . . . . 0.0 111.241 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -86.82 -35.46 19.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.465 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.53 0.196 0 CA-C-N 118.634 0.652 . . . . 0.0 109.489 176.296 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.57 106.47 10.16 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -83.47 147.16 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -141.11 157.66 44.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -118.49 145.13 45.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -149.96 137.94 20.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.406 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.418 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.8 tptm -82.64 149.42 27.4 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -56.23 139.48 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.686 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 0.48 60.13 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -114.47 -176.52 2.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.401 1.101 . . . . 0.0 110.47 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -139.65 169.33 17.92 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -169.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -144.4 165.41 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.441 1.897 . . . . 0.0 107.483 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.27 153.78 50.26 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.492 0.587 . . . . 0.0 112.448 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.09 145.66 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.226 1.01 . . . . 0.0 108.519 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 -142.06 38.19 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.04 10.53 5.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.7 0.8 . . . . 0.0 109.6 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.39 8.97 2.03 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.79 0.836 . . . . 0.0 111.854 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.59 146.92 33.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 119.155 0.889 . . . . 0.0 111.067 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -138.08 155.1 49.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.303 1.041 . . . . 0.0 108.352 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.54 146.67 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.6 m -140.85 122.42 15.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.58 90.01 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.5 -30.84 71.66 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.436 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.24 -172.46 35.93 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.337 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.91 160.65 38.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -150.12 105.6 3.39 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -96.63 0.35 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -126.06 0.29 7.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.238 0.615 . . . . 0.0 110.641 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.74 160.09 32.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.25 119.68 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -80.86 119.38 23.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.41 120.07 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.39 149.51 19.36 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.33 144.83 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -135.27 104.24 5.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.19 154.4 53.98 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.022 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.93 151.83 62.74 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.293 2.662 . . . . 0.0 110.321 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.31 -2.71 3.3 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 122.21 -0.306 . . . . 0.0 110.636 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.42 -11.72 58.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.316 1.047 . . . . 0.0 110.684 173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.17 160.79 32.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 123.766 0.826 . . . . 0.0 109.862 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.18 16.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 134.59 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -157.21 171.1 21.04 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.28 0.232 . . . . 0.0 111.175 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -72.53 158.72 35.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.67 -23.32 67.22 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.037 0.381 . . . . 0.0 110.63 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.63 -3.73 58.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.24 0.616 . . . . 0.0 112.399 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -117.79 -34.59 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 123.907 0.883 . . . . 0.0 110.031 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.23 -37.84 70.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.014 -0.429 . . . . 0.0 110.885 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -64.97 -21.39 66.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.451 -0.155 . . . . 0.0 110.973 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -85.38 -32.22 22.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.436 0.294 . . . . 0.0 111.453 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.426 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.742 -0.096 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 112.0 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.31 143.85 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.82 134.41 28.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -90.3 148.29 22.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -150.71 138.6 19.96 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.265 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.4 tptm -86.55 150.26 24.37 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.7 m -57.55 134.15 22.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.531 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.96 55.02 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.371 -0.683 . . . . 0.0 112.953 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -114.81 -176.14 2.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.356 1.078 . . . . 0.0 110.856 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -139.61 169.52 17.59 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -144.75 165.62 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.149 1.779 . . . . 0.0 107.413 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.04 153.9 49.32 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.797 0.726 . . . . 0.0 112.539 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.34 143.32 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -141.71 32.2 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.18 13.14 5.64 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.441 0.696 . . . . 0.0 109.981 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -138.27 6.65 2.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.625 0.77 . . . . 0.0 111.86 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.87 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 CA-C-N 118.82 0.736 . . . . 0.0 110.417 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -138.55 154.99 48.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -134.99 148.99 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -140.11 150.04 43.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.23 90.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -65.57 -34.29 77.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.337 -173.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.21 -173.57 37.66 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.088 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.46 161.55 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 C-N-CA 122.773 0.429 . . . . 0.0 110.693 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -150.55 106.99 3.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.36 -102.91 0.79 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.464 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 4.8 mm-40 -120.34 0.43 10.58 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.078 0.551 . . . . 0.0 110.511 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 74.5 mt-30 -73.83 154.49 39.47 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.49 119.56 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -80.95 120.63 25.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 mt -120.37 140.68 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.17 18.01 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -137.17 145.23 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.27 104.57 5.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.07 155.68 55.0 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 123.767 0.827 . . . . 0.0 109.599 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.45 151.22 65.02 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.063 2.508 . . . . 0.0 110.317 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.84 -1.86 2.22 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.83 -10.88 59.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.006 0.923 . . . . 0.0 110.911 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.44 160.4 31.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.632 0.773 . . . . 0.0 109.513 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.62 156.76 16.9 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -153.79 134.39 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -157.42 164.89 37.01 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpt85 -66.69 152.11 46.06 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.95 -23.55 65.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.333 0.515 . . . . 0.0 112.244 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.5 -11.55 55.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.421 0.555 . . . . 0.0 111.849 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 mm -104.19 -35.14 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.814 0.845 . . . . 0.0 109.848 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -57.16 -40.78 77.96 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.555 -0.716 . . . . 0.0 110.861 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.72 -20.55 65.82 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.335 -0.228 . . . . 0.0 110.963 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -84.0 -37.92 21.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.322 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.53 0.211 0 CA-C-N 118.646 0.657 . . . . 0.0 109.288 176.013 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.18 109.64 11.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 144.41 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -142.74 135.08 27.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.7 p -92.47 149.77 21.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.462 HH21 ' HB ' ' C' ' 22' ' ' ILE . 21.5 ttp180 -148.68 164.18 35.11 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.48 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.9 tptm -121.63 149.07 43.72 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 m -53.33 129.48 14.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.927 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.07 2.45 36.15 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.992 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -116.89 -171.32 2.0 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.78 1.29 . . . . 0.0 112.444 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -148.85 171.2 16.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.453 HG13 ' HD3' ' C' ' 6' ' ' ARG . 41.5 mt -145.0 165.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.053 2.141 . . . . 0.0 107.08 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -130.58 153.55 48.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.691 -0.63 . . . . 0.0 111.512 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -144.01 140.65 25.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -138.04 43.63 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -130.94 10.58 5.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.48 0.712 . . . . 0.0 109.515 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.55 8.5 2.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.336 0.654 . . . . 0.0 112.141 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.62 144.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.784 0.72 . . . . 0.0 110.087 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -140.11 153.9 46.85 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -132.46 149.41 32.21 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -140.56 153.86 46.28 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 122.687 0.395 . . . . 0.0 110.064 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.462 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -111.69 92.22 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -30.11 70.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.19 -170.73 35.0 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.664 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.08 162.43 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 CA-C-O 121.054 0.454 . . . . 0.0 110.177 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -147.31 80.77 1.52 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.58 -117.43 5.2 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -171.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.02 -1.89 38.63 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 117.043 0.422 . . . . 0.0 110.017 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 67.5 mt-30 -80.43 155.82 26.92 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -142.93 118.66 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -78.42 117.79 19.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -117.1 138.76 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.41 149.86 18.56 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.7 mt -135.85 144.94 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -135.57 102.45 5.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.39 153.74 52.32 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.369 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.42 152.15 65.72 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.899 2.399 . . . . 0.0 110.14 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.4 -2.7 3.42 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.61 -11.72 58.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.949 0.9 . . . . 0.0 110.892 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.05 160.28 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.611 0.764 . . . . 0.0 109.327 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.73 156.74 17.16 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.32 131.68 2.74 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -157.26 164.74 37.36 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 122.792 0.437 . . . . 0.0 110.691 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -72.8 165.39 24.95 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.01 -33.41 70.69 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.12 -53.52 48.21 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 121.701 -0.624 . . . . 0.0 111.003 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.22 -31.63 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.811 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -55.31 -40.74 71.47 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.014 0.37 . . . . 0.0 111.143 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.54 -20.82 66.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.285 -0.259 . . . . 0.0 111.28 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -85.82 -33.23 21.4 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.327 0.251 . . . . 0.0 111.655 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.4 HD12 ' N ' ' C' ' 51' ' ' ILE . 2.6 mp . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.31 110.27 12.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.54 147.1 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -140.96 155.18 46.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.95 141.52 48.59 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.403 ' HE ' ' C ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -150.45 165.05 34.35 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.585 178.811 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.9 tptm -108.93 150.84 27.12 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 m -54.54 126.62 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 118.064 0.393 . . . . 0.0 110.347 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.39 -6.98 24.74 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.074 -0.848 . . . . 0.0 113.274 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' HE ' ' A' ' 6' ' ' ARG . 77.4 mm-40 -101.89 -179.06 3.89 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.755 1.278 . . . . 0.0 112.522 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -138.5 166.64 23.77 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mt -143.3 165.64 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.422 1.889 . . . . 0.0 107.884 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -134.63 153.47 51.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.394 0.678 . . . . 0.0 112.156 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -143.15 143.17 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.51 -138.94 42.97 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.18 10.62 5.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.095 0.558 . . . . 0.0 109.799 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.63 8.95 2.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.334 0.654 . . . . 0.0 111.9 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.58 145.75 35.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 119.108 0.867 . . . . 0.0 110.53 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.4 m -138.17 155.48 48.66 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -134.2 149.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.4 m -139.74 153.27 47.15 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.756 0.423 . . . . 0.0 110.157 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -112.97 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.83 -30.35 71.45 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.931 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.41 -170.43 34.53 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.693 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -132.93 161.58 41.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -150.07 98.15 2.66 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.67 -113.91 6.03 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.2 mp0 -106.0 0.03 25.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.12 0.46 . . . . 0.0 110.329 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -78.05 160.5 28.08 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 109.635 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.1 t -141.95 117.37 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -79.18 108.92 13.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -105.17 146.02 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.68 148.85 16.83 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.8 mt -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -136.78 101.91 4.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 155.73 60.35 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.326 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.13 153.0 51.52 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.176 2.584 . . . . 0.0 110.067 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -65.96 -4.23 6.67 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.32 -0.237 . . . . 0.0 110.863 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.94 -9.2 43.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.067 0.947 . . . . 0.0 110.982 171.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -138.67 160.62 30.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 123.564 0.746 . . . . 0.0 109.901 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.32 156.73 17.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.002 0.43 . . . . 0.0 111.793 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.03 135.61 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -157.61 169.22 25.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.823 0.449 . . . . 0.0 111.256 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm-85 -70.92 163.7 26.92 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -65.43 -23.83 67.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.995 -0.441 . . . . 0.0 111.296 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.2 -48.66 41.42 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 121.318 0.58 . . . . 0.0 109.991 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.2 mm -76.27 -33.67 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.008 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -56.2 -41.34 75.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.483 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 122.361 -0.212 . . . . 0.0 111.056 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -80.57 -38.86 28.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.222 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.053 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.842 -0.059 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 105.08 8.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 173.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -78.96 145.2 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.33 134.27 25.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.0 p -94.55 143.32 26.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -147.45 135.48 21.34 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.24 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 3.8 tptm -83.75 149.04 26.7 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -56.49 132.08 20.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.28 0.85 44.24 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.69 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -115.51 -175.75 2.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.545 1.172 . . . . 0.0 111.039 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -141.25 169.3 17.86 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.38 165.93 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 126.514 1.926 . . . . 0.0 107.41 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -138.59 154.23 48.7 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.403 -0.811 . . . . 0.0 112.906 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -141.31 143.04 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.29 -141.03 31.3 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -130.03 11.22 5.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.553 0.741 . . . . 0.0 110.221 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -136.78 8.28 3.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.594 0.757 . . . . 0.0 111.733 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 146.59 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 CA-C-N 118.951 0.796 . . . . 0.0 110.865 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.22 154.96 49.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.51 148.93 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.8 m -141.23 149.29 41.18 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -111.15 91.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.52 -32.46 73.82 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.229 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.97 -171.73 36.35 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.739 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.34 162.14 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -146.78 81.81 1.56 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.09 -115.09 4.37 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -171.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -100.9 -2.39 32.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.432 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 69.0 mt-30 -78.08 154.62 31.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.37 123.4 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -85.24 120.81 27.14 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 170.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -121.91 140.88 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.71 150.16 18.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 1' ' ' MET . 73.7 mt -136.6 145.12 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -136.72 105.39 5.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.52 155.36 60.55 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.88 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.52 150.08 74.95 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.533 2.155 . . . . 0.0 109.79 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -65.53 -1.83 2.91 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.325 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.31 -12.09 60.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.176 0.991 . . . . 0.0 110.961 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.58 160.65 34.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.564 0.746 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.08 157.1 16.58 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 111.622 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.5 129.32 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -157.21 163.14 39.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 122.745 0.418 . . . . 0.0 110.338 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -73.38 163.06 28.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 172.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.47 -38.98 78.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.53 -11.3 60.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -102.66 -32.87 3.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -55.46 -42.83 74.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.912 0.324 . . . . 0.0 111.073 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.82 -20.79 66.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 121.452 -0.099 . . . . 0.0 111.057 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.2 -37.4 23.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.059 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.408 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 118.837 0.744 . . . . 0.0 109.174 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 50.3 tpp . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 119.865 -0.112 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.75 112.97 13.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.55 143.9 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.165 0.586 . . . . 0.0 109.691 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.61 134.84 27.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 p -95.59 144.26 26.19 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -146.15 135.22 22.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.093 0.557 . . . . 0.0 110.341 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.3 tptm -80.39 155.59 27.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 170.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 m -57.87 140.26 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.221 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.15 -15.07 61.94 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.544 0.592 . . . . 0.0 112.323 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.63 -178.63 7.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.893 0.846 . . . . 0.0 111.032 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.3 m -142.65 166.49 24.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.69 165.06 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.384 1.873 . . . . 0.0 107.303 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.29 153.68 46.55 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 118.604 0.638 . . . . 0.0 111.926 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -142.88 144.92 23.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.08 36.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -130.22 11.14 5.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.392 0.677 . . . . 0.0 109.685 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -139.07 8.97 2.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -131.48 145.4 35.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 119.07 0.85 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -138.48 154.48 48.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -135.71 148.92 27.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.7 m -144.24 125.89 15.07 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.33 93.27 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -64.72 -34.6 78.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.924 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.61 -171.36 36.75 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.669 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.38 160.73 42.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 122.723 0.409 . . . . 0.0 110.306 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -148.66 98.45 2.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.65 -96.47 0.36 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -172.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.2 mp0 -121.57 -2.77 9.37 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.381 0.673 . . . . 0.0 110.602 177.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -76.86 158.37 30.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -143.12 118.55 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -81.31 123.36 28.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.43 128.11 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.03 149.83 16.89 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.1 mt -135.98 144.97 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -135.68 103.44 5.43 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.69 155.07 56.55 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.99 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.57 151.39 70.13 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.088 2.526 . . . . 0.0 109.597 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -66.86 -1.34 3.84 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.214 -0.304 . . . . 0.0 110.298 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.07 -11.72 59.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.116 0.966 . . . . 0.0 110.994 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.47 161.07 31.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.937 0.895 . . . . 0.0 109.531 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.12 157.47 16.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.644 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.95 132.12 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -157.47 165.77 34.76 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -63.5 156.32 26.67 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 168.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.38 -23.71 67.04 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 122.117 -0.364 . . . . 0.0 110.909 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.06 -8.72 58.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.92 -34.19 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.443 0.697 . . . . 0.0 109.72 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -57.38 -37.65 72.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.823 0.283 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -65.42 -21.79 66.7 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.43 -36.9 23.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.361 0.264 . . . . 0.0 111.175 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -129.13 112.78 14.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.04 143.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.53 134.76 31.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -86.01 156.53 20.4 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.467 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.1 ttp180 -150.49 161.88 41.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE2' ' CB ' ' A' ' 28' ' ' GLN . 12.9 tptm -124.59 148.01 48.12 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.24 122.88 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 118.736 0.698 . . . . 0.0 109.928 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.73 0.38 23.06 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.402 -0.666 . . . . 0.0 113.123 -178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -110.94 -169.37 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.285 1.042 . . . . 0.0 111.773 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -152.28 169.92 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.148 0.979 . . . . 0.0 111.609 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.467 HG13 ' HD3' ' C' ' 6' ' ' ARG . 52.5 mt -144.74 164.94 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.026 1.73 . . . . 0.0 107.561 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -133.59 153.31 51.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.1 0.476 . . . . 0.0 111.675 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -144.71 143.57 22.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.95 43.6 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -129.92 10.65 5.51 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.522 0.729 . . . . 0.0 109.907 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.68 9.17 1.98 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.21 0.604 . . . . 0.0 112.42 -175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.48 145.11 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.942 0.792 . . . . 0.0 111.198 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -139.15 153.68 47.98 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 108.095 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -132.98 149.72 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -139.35 153.58 47.71 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.477 0.311 . . . . 0.0 110.302 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.404 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -112.06 93.11 2.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 C-N-CA 123.611 0.764 . . . . 0.0 109.146 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.43 -31.95 73.02 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.594 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -171.07 34.2 Favored Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.54 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.66 161.73 39.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 CA-C-N 116.924 0.362 . . . . 0.0 110.492 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.6 m -149.78 106.0 3.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -96.9 0.33 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 9.2 mm-40 -125.65 -0.74 7.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.062 0.545 . . . . 0.0 110.669 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.417 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 68.3 mt-30 -73.33 154.84 39.94 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 172.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.75 117.39 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -80.62 116.04 20.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 171.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -114.13 140.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 149.84 18.68 Favored Glycine 0 C--N 1.331 0.286 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 1' ' ' MET . 75.7 mt -135.6 145.36 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -135.41 102.61 5.2 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.13 53.61 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.047 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.32 152.56 55.51 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.059 2.506 . . . . 0.0 110.482 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.96 -5.33 5.94 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 122.291 -0.255 . . . . 0.0 110.43 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.71 -9.08 40.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.066 0.946 . . . . 0.0 111.259 172.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.1 160.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.522 0.729 . . . . 0.0 109.743 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.07 156.19 17.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.51 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.39 134.88 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -157.28 169.87 23.76 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 122.997 0.519 . . . . 0.0 110.584 -176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.3 ptp85 -79.39 165.8 22.72 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.26 -24.04 66.1 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.495 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.0 tp10 -72.17 -51.06 23.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.628 0.649 . . . . 0.0 110.606 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.44 -31.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.888 -172.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.56 -41.6 77.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.178 0.444 . . . . 0.0 110.613 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.42 -21.05 66.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.981 -0.1 . . . . 0.0 111.058 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.15 -37.6 20.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 118.541 0.61 . . . . 0.0 109.45 176.41 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 110.79 13.39 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.4 145.92 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.145 0 C-N-CA 123.32 0.648 . . . . 0.0 109.53 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -141.37 157.49 45.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -120.58 138.21 54.0 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -144.53 134.6 24.04 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.796 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -79.43 156.06 28.05 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.28 131.35 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.356 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 -14.52 42.35 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.616 -0.546 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -87.43 -179.72 6.42 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.346 1.073 . . . . 0.0 110.735 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -142.49 167.18 22.71 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -142.71 165.03 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.496 1.918 . . . . 0.0 107.508 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -139.14 153.69 47.99 Favored 'General case' 0 C--N 1.338 0.083 0 O-C-N 121.677 -0.639 . . . . 0.0 112.159 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.77 144.02 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.83 -141.63 32.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.0 12.22 5.65 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.506 0.722 . . . . 0.0 110.133 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -137.92 7.48 2.71 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.855 0.862 . . . . 0.0 111.773 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.83 146.06 34.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.127 0.876 . . . . 0.0 110.914 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -139.04 156.68 47.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.77 147.96 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.6 m -143.65 127.06 16.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -79.73 95.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.2 mt -69.18 -30.44 68.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.961 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.26 -172.07 35.87 Favored Glycine 0 C--N 1.34 0.775 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.652 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -133.65 163.07 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.025 0.441 . . . . 0.0 110.372 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -146.69 79.38 1.52 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.57 -114.24 4.05 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 107.878 -2.089 . . . . 0.0 107.878 -172.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -100.82 -2.35 32.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.971 0.385 . . . . 0.0 110.297 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 70.9 mt-30 -78.71 153.3 31.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -141.85 118.98 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -77.92 118.5 20.28 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -120.85 121.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.4 149.14 19.23 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -133.34 144.99 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -137.75 102.95 4.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.75 57.95 Favored Pre-proline 0 N--CA 1.449 -0.478 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.14 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.03 151.49 67.54 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.922 2.415 . . . . 0.0 109.839 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -66.6 -1.41 3.67 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.546 0.212 . . . . 0.0 110.538 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.92 -10.63 58.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 110.824 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.92 160.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.877 0.871 . . . . 0.0 109.603 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.27 157.35 16.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.856 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.05 133.19 3.9 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -157.09 167.61 29.91 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.68 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -70.65 162.1 29.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -67.22 -23.59 65.74 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.347 -0.221 . . . . 0.0 110.665 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.67 -5.78 59.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 111.96 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -116.94 -33.35 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 123.93 0.892 . . . . 0.0 110.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.43 -37.1 69.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 117.756 0.253 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.99 -21.21 66.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.505 -0.122 . . . . 0.0 111.132 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -87.16 -35.97 18.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.552 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.35 103.22 7.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.32 146.08 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.56 158.56 43.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.3 p -121.84 145.0 48.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.479 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 1.6 tpt180 -147.68 155.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.289 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.43 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 7.4 tptm -98.44 150.63 21.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.09 132.23 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 118.417 0.553 . . . . 0.0 110.291 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.42 35.86 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.645 -0.53 . . . . 0.0 112.551 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . 0.479 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 50.9 mm-40 -106.46 -176.66 3.14 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.125 0.963 . . . . 0.0 111.537 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -139.35 169.9 16.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -146.56 165.82 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.121 1.768 . . . . 0.0 107.211 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -135.64 153.43 51.63 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 119.043 0.838 . . . . 0.0 112.662 -174.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -144.65 144.0 22.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 108.68 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -141.19 38.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.71 10.63 6.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.36 0.664 . . . . 0.0 109.903 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.19 9.38 1.88 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.423 0.689 . . . . 0.0 111.918 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.95 146.5 33.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 CA-C-N 118.777 0.717 . . . . 0.0 110.752 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -140.34 155.33 46.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.62 149.54 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.4 m -142.21 121.1 12.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -77.46 91.46 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.4 mt -67.54 -32.01 72.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.54 -169.54 35.63 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.68 165.88 28.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 122.51 0.324 . . . . 0.0 110.631 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -151.4 102.84 2.94 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.14 -95.93 0.3 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -172.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -124.46 1.6 8.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.406 0.683 . . . . 0.0 110.577 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.64 160.78 32.06 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -140.6 119.66 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -80.12 119.89 23.53 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -120.82 121.19 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.91 150.16 19.61 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -136.3 144.75 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -135.04 104.19 5.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.54 155.01 53.28 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.4 152.49 60.69 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.116 2.544 . . . . 0.0 110.471 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -66.21 -2.18 4.03 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 122.38 -0.2 . . . . 0.0 110.667 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.82 -11.47 58.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.917 0.887 . . . . 0.0 110.653 172.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.41 160.93 31.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 109.868 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.64 157.43 16.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 122.395 0.278 . . . . 0.0 111.601 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.99 134.02 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -156.5 169.59 24.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.718 0.407 . . . . 0.0 111.484 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -71.94 158.78 35.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.66 -23.28 67.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.912 -0.492 . . . . 0.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 -2.15 57.82 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.734 0.813 . . . . 0.0 111.967 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.07 -35.52 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 C-N-CA 123.776 0.83 . . . . 0.0 109.618 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.26 -38.08 68.08 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.088 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -65.23 -20.73 66.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.331 -0.23 . . . . 0.0 111.164 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.02 -31.74 20.39 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.958 0.503 . . . . 0.0 111.377 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.69 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 107.24 10.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 173.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.43 147.24 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -140.03 159.85 41.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -120.05 140.99 50.17 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -144.29 164.16 31.57 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -113.38 155.94 24.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.06 113.43 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.104 0.478 . . . . 0.0 110.555 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.1 -14.59 8.92 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.923 0.773 . . . . 0.0 112.656 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -85.52 -175.23 5.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 117.753 0.777 . . . . 0.0 111.867 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -145.58 167.52 22.85 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.9 165.79 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 126.549 1.939 . . . . 0.0 107.646 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.46 153.93 50.01 Favored 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 118.858 0.753 . . . . 0.0 112.338 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -142.56 144.94 23.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 123.926 0.89 . . . . 0.0 108.722 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.62 -140.63 37.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.32 11.26 5.39 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 109.529 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -139.65 8.4 2.37 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.577 0.751 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.139 0.881 . . . . 0.0 110.649 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -137.8 155.35 49.11 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.25 148.98 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -139.49 149.78 44.38 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.44 88.56 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.67 -31.34 72.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.193 0.597 . . . . 0.0 111.753 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -168.13 34.31 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.857 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.93 160.42 35.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -147.78 79.56 1.48 Allowed 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.71 -118.11 4.92 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.844 -2.102 . . . . 0.0 107.844 -171.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.17 0.54 43.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -80.94 160.61 24.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.7 t -140.46 118.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -77.62 115.26 17.23 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -113.74 143.57 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 151.46 17.12 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.49 144.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -136.3 103.42 5.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.3 155.86 57.67 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.178 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.75 151.66 57.82 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.718 2.279 . . . . 0.0 110.176 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.33 -4.0 4.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.402 -0.186 . . . . 0.0 110.555 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.89 -8.02 40.21 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.397 1.079 . . . . 0.0 110.933 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.13 160.56 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 123.521 0.729 . . . . 0.0 109.415 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.52 156.98 17.25 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 111.455 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.42 133.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -157.02 167.2 31.18 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.915 0.486 . . . . 0.0 110.882 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.77 159.24 33.92 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.565 . . . . 0.0 111.177 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.13 -3.64 58.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.54 0.736 . . . . 0.0 111.87 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -116.91 -34.27 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 C-N-CA 123.714 0.806 . . . . 0.0 109.692 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -55.96 -38.13 69.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 117.954 0.343 . . . . 0.0 111.394 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -65.08 -20.79 66.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.221 0.082 . . . . 0.0 111.221 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.56 -35.53 19.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.54 0.336 . . . . 0.0 111.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.8 mp . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 107.53 11.71 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 145.6 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.384 0.674 . . . . 0.0 109.596 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -143.16 134.84 26.53 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -93.9 144.44 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.638 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.8 OUTLIER -147.34 129.19 15.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.452 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -75.74 146.58 39.96 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 174.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.16 126.13 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.75 -3.02 27.47 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.461 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -111.6 -178.31 3.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.573 1.187 . . . . 0.0 110.98 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -136.56 169.9 16.94 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -143.58 165.94 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.783 2.033 . . . . 0.0 107.164 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -138.08 153.79 49.28 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.333 -0.854 . . . . 0.0 112.226 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -142.42 145.03 24.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 124.111 0.964 . . . . 0.0 108.815 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.39 -140.2 43.29 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -129.88 10.34 5.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.627 0.771 . . . . 0.0 109.444 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -142.58 9.15 1.78 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.742 0.817 . . . . 0.0 112.308 -175.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.37 147.39 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.033 0.833 . . . . 0.0 110.88 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -137.65 154.74 49.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -134.87 148.65 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -144.47 135.88 25.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.05 0.452 . . . . 0.0 110.087 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -89.52 92.92 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.97 -31.77 72.88 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -167.78 34.08 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.357 -0.449 . . . . 0.0 112.361 173.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.36 164.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.56 64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -113.04 3.56 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -92.27 -6.97 49.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -76.96 156.11 32.2 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.335 0.588 . . . . 0.0 110.139 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -137.26 121.51 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.433 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -83.19 118.93 23.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 171.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -119.57 135.65 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.72 152.05 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -135.8 145.24 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -134.84 104.91 6.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.36 155.31 49.96 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 123.897 0.879 . . . . 0.0 109.19 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.33 152.59 61.17 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.66 2.24 . . . . 0.0 110.324 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -66.09 -2.19 3.9 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.924 -0.485 . . . . 0.0 110.371 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.18 -11.6 59.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.891 0.876 . . . . 0.0 110.868 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.43 160.55 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.825 0.85 . . . . 0.0 109.286 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.61 155.56 17.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.973 0.416 . . . . 0.0 111.542 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.91 133.61 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -155.69 165.86 35.25 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 121.044 0.449 . . . . 0.0 111.634 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -68.75 154.48 41.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.37 -23.78 66.01 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.528 0.604 . . . . 0.0 112.076 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.83 -36.58 70.25 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 110.358 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -91.83 -32.12 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.93 -170.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.9 -40.33 72.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 117.916 0.325 . . . . 0.0 110.495 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.8 -20.85 66.61 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.413 -0.18 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.42 -36.87 17.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 119.07 -0.49 . . . . 0.0 111.749 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.534 0.344 0 CA-C-N 118.759 0.709 . . . . 0.0 109.606 176.796 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.76 109.26 11.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.58 144.87 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.91 134.93 27.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.0 p -91.38 145.63 24.47 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -146.52 127.37 14.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -79.88 148.74 31.19 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 m -57.86 129.99 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.95 43.02 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.755 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -112.25 -176.92 3.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.395 1.097 . . . . 0.0 111.048 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -141.46 169.84 16.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -145.1 165.54 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.355 1.862 . . . . 0.0 107.418 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.22 153.56 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.485 -0.76 . . . . 0.0 112.427 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -142.66 142.6 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.72 -140.3 38.03 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.364 -1.095 . . . . 0.0 110.364 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.34 10.69 5.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.47 0.708 . . . . 0.0 109.548 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -139.87 9.1 2.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.972 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.12 146.05 34.46 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 118.77 0.714 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -138.92 154.23 48.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.81 149.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 83.3 m -141.93 150.93 42.12 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -111.6 97.32 5.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.99 -33.68 74.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.11 -175.46 36.9 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.787 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.29 161.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.342 0.269 0 CA-C-N 117.154 0.477 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 m -153.09 107.13 3.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.41 -104.76 1.04 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -116.77 -3.59 11.7 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.583 0.753 . . . . 0.0 109.987 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 65.2 mt-30 -73.84 152.89 40.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 173.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -144.81 120.37 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -82.1 122.95 28.5 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 170.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.11 140.64 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.76 147.73 18.91 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -135.57 144.86 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -135.42 103.0 5.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.78 155.23 56.18 Favored Pre-proline 0 N--CA 1.449 -0.476 0 C-N-CA 123.604 0.762 . . . . 0.0 109.331 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.7 152.5 58.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.082 2.521 . . . . 0.0 110.231 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.61 -2.15 3.26 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.446 -0.159 . . . . 0.0 110.728 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.61 -11.45 60.06 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.988 0.915 . . . . 0.0 110.651 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.29 160.9 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.691 0.796 . . . . 0.0 109.286 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.7 157.23 17.33 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.3 131.24 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -159.1 165.59 33.49 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 122.774 0.429 . . . . 0.0 111.687 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -67.37 159.67 28.93 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 168.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.53 -33.82 73.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.63 0.372 . . . . 0.0 111.337 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 -14.26 60.08 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -102.34 -33.95 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 123.133 0.573 . . . . 0.0 109.697 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -55.32 -39.22 69.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.398 -0.189 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.28 -21.71 66.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.622 0.192 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.39 -35.7 24.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.164 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 119.867 -0.111 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.6 112.5 15.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -87.71 144.86 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.37 133.73 29.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 170.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -87.61 148.14 24.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 172.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.425 ' HD3' HG13 ' C' ' 12' ' ' ILE . 36.4 ttp180 -148.08 155.93 42.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.452 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.3 tptm -109.81 144.14 38.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.4 t -53.25 113.34 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.28 6.52 8.88 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.789 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -121.73 -168.04 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.437 1.119 . . . . 0.0 111.54 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 53.7 m -152.81 168.51 25.51 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.444 0.698 . . . . 0.0 111.691 -170.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.425 HG13 ' HD3' ' C' ' 6' ' ' ARG . 31.2 mt -145.36 165.25 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.449 1.9 . . . . 0.0 107.706 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.85 153.34 52.08 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.885 0.474 . . . . 0.0 111.263 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -143.6 143.94 23.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.98 -138.25 45.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -130.34 10.06 5.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.538 0.735 . . . . 0.0 110.041 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.61 9.75 2.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.079 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.28 34.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 119.152 0.887 . . . . 0.0 110.922 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -138.51 153.69 48.76 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -133.61 149.61 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -138.28 154.71 49.03 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 tp -115.31 90.06 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.576 0.75 . . . . 0.0 109.048 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.0 -23.99 63.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.973 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 153.93 -173.45 32.56 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.284 177.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.57 159.68 42.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -147.18 83.58 1.57 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.4 -118.21 5.21 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 107.547 -2.221 . . . . 0.0 107.547 -171.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.81 0.45 41.59 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.01 160.48 27.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 109.573 172.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.43 119.01 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -80.23 116.01 20.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -116.19 142.0 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.7 149.65 18.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.86 145.4 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.43 102.62 5.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.28 154.93 57.91 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.71 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.44 152.13 65.59 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 122.758 2.305 . . . . 0.0 109.76 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.65 -2.82 3.87 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 122.413 -0.179 . . . . 0.0 110.536 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.18 -11.33 59.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.067 0.947 . . . . 0.0 110.896 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.47 160.83 31.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.442 0.697 . . . . 0.0 109.224 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.17 155.36 18.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 111.682 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.35 132.02 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -156.89 167.41 30.55 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -69.74 163.15 26.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -65.5 -24.15 67.07 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.298 -0.251 . . . . 0.0 111.276 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.8 -48.55 30.65 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.496 0.665 . . . . 0.0 110.021 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.4 -33.18 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.129 -173.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.21 -42.92 77.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.0 -0.437 . . . . 0.0 110.883 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.82 -20.76 66.36 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.464 -0.148 . . . . 0.0 110.774 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.61 -37.22 23.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.834 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.44 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.9 tpp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.33 109.64 11.99 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.96 146.19 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -139.52 162.69 34.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -125.0 139.5 53.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -143.45 139.03 29.7 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.458 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -81.34 152.7 27.39 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.78 130.48 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 118.731 -1.187 . . . . 0.0 110.34 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.94 -14.76 37.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.875 0.75 . . . . 0.0 112.199 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -84.51 179.5 7.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.96 0.88 . . . . 0.0 111.167 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 m -140.49 167.17 22.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -142.54 165.23 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.994 1.718 . . . . 0.0 107.189 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -137.77 153.38 49.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.701 -0.624 . . . . 0.0 112.175 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -144.39 142.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.082 0.953 . . . . 0.0 108.517 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.64 -140.08 41.33 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -129.77 10.78 5.59 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.521 0.728 . . . . 0.0 109.748 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -141.25 8.7 2.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.304 0.641 . . . . 0.0 111.91 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 146.3 34.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.852 0.751 . . . . 0.0 110.379 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -139.99 156.39 46.65 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.371 1.068 . . . . 0.0 108.136 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.5 mm -135.97 148.6 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -143.86 125.04 14.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.11 95.58 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.1 -32.06 72.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.129 -0.357 . . . . 0.0 111.094 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -171.57 35.07 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.629 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.19 162.59 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.867 0.467 . . . . 0.0 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -153.21 92.45 1.62 Allowed 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 -119.45 6.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -170.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.74 -0.21 34.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.849 0.325 . . . . 0.0 110.53 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 75.7 mt-30 -79.76 154.91 28.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.29 122.56 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -83.2 122.23 28.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.42 124.18 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 149.21 18.78 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.3 mt -133.59 145.43 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.03 103.42 5.35 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.35 152.87 51.24 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.709 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -67.59 151.51 79.39 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.656 2.238 . . . . 0.0 108.99 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -6.09 5.96 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.71 -10.4 36.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.741 1.216 . . . . 0.0 111.553 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m -137.13 159.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.45 154.36 17.31 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -153.45 131.09 2.33 Favored 'Isoleucine or valine' 0 C--N 1.337 0.058 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -155.81 166.18 34.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.586 0.231 . . . . 0.0 111.303 -175.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -69.25 162.14 27.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.34 -28.97 69.66 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.209 -0.307 . . . . 0.0 110.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.09 -6.14 57.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.691 0.797 . . . . 0.0 112.626 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -116.41 -33.54 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 C-N-CA 124.06 0.944 . . . . 0.0 109.925 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.07 -36.13 67.73 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 117.887 0.312 . . . . 0.0 111.342 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.13 -21.55 66.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 122.352 -0.218 . . . . 0.0 111.041 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.75 -36.27 18.72 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 122.607 0.363 . . . . 0.0 111.554 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.585 -0.245 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.01 104.4 8.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.96 146.43 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.55 155.19 46.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.8 p -116.8 145.06 43.77 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.442 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.8 mmp_? -143.6 164.66 29.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.433 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 10.8 tptm -113.82 151.79 31.58 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -56.26 119.74 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.096 0.862 . . . . 0.0 110.042 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.37 4.96 21.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.016 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -113.37 -178.77 3.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.536 1.168 . . . . 0.0 110.988 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -143.87 167.44 22.32 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -142.77 165.19 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.3 1.84 . . . . 0.0 107.52 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -134.65 153.5 51.95 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 121.802 -0.561 . . . . 0.0 111.211 -176.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.44 141.78 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -139.37 41.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.23 10.88 5.39 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.579 0.752 . . . . 0.0 109.415 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.41 9.28 2.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.292 0.637 . . . . 0.0 112.054 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.25 146.28 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 118.951 0.796 . . . . 0.0 110.576 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.7 m -140.64 155.67 46.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -133.66 149.24 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 74.6 m -144.57 126.89 15.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.57 96.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.26 -33.13 71.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.307 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.07 -172.43 36.56 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.272 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.93 161.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 122.576 0.35 . . . . 0.0 110.256 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 p -153.73 114.64 4.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.99 -99.29 0.3 Allowed Glycine 0 C--N 1.334 0.421 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -125.96 1.02 7.3 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.26 0.624 . . . . 0.0 110.605 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -74.16 160.29 31.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.65 120.22 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -79.93 121.52 25.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.0 125.73 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.64 150.18 19.29 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 108.646 -1.782 . . . . 0.0 108.646 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.8 mt -135.61 145.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -134.97 105.35 6.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.79 155.31 48.26 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 123.837 0.855 . . . . 0.0 108.999 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.71 152.66 59.06 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.008 2.472 . . . . 0.0 110.277 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.89 -5.21 8.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.983 -0.448 . . . . 0.0 110.372 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -9.28 44.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.106 0.963 . . . . 0.0 111.082 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 161.33 28.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.637 0.775 . . . . 0.0 109.006 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.51 156.35 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.15 -0.344 . . . . 0.0 111.515 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.14 132.04 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -157.88 164.71 36.65 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.577 0.351 . . . . 0.0 110.413 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 4.9 ptp85 -72.7 163.64 27.77 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 171.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.45 -24.87 65.56 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.4 tp10 -70.85 -51.75 24.57 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.645 0.657 . . . . 0.0 110.605 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -74.4 -32.28 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.956 -171.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.3 -40.89 68.33 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.412 0.551 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.9 -20.69 65.96 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.0 -0.091 . . . . 0.0 111.103 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.1 -34.03 22.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 122.744 0.418 . . . . 0.0 111.822 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.812 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.9 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.901 -0.037 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.26 110.64 13.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.16 144.56 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.23 134.76 28.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -92.96 142.98 26.7 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -149.07 134.35 18.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -83.56 151.63 25.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.18 134.07 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.81 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.74 -0.62 52.37 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.286 -0.73 . . . . 0.0 112.965 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -109.18 -175.96 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.485 1.142 . . . . 0.0 110.489 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -140.88 169.57 17.38 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -171.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -143.89 165.68 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 126.441 1.896 . . . . 0.0 107.559 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -133.11 153.42 51.53 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.376 -0.828 . . . . 0.0 112.145 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -144.56 140.41 23.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.651 0.78 . . . . 0.0 109.016 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.3 -140.46 42.62 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -130.58 10.7 5.21 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.079 0.551 . . . . 0.0 109.869 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -140.09 9.21 2.32 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.412 0.685 . . . . 0.0 111.655 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.96 148.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.77 0.714 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -140.68 156.24 46.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.69 149.11 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -174.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.13 150.42 44.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.5 90.44 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.66 -31.04 71.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.445 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -171.74 35.5 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.964 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.94 160.44 42.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -146.37 81.15 1.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.99 -118.85 6.15 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -171.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -93.82 -4.55 49.96 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -80.91 149.66 29.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.9 124.71 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -85.41 120.98 27.48 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 170.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.46 141.59 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.92 150.78 18.46 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -135.85 145.3 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.21 103.7 5.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.13 155.67 54.75 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.109 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.21 152.96 51.03 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.279 2.652 . . . . 0.0 110.397 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? -65.79 -4.42 6.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.246 -0.284 . . . . 0.0 110.686 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.23 -9.9 50.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.746 172.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -138.52 161.01 31.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.536 0.734 . . . . 0.0 109.474 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.72 156.17 18.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.56 133.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -157.35 165.9 34.54 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 112.066 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -64.91 157.04 29.11 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.81 -24.51 67.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.802 0.274 . . . . 0.0 111.392 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -72.05 -46.9 55.2 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.53 0.681 . . . . 0.0 110.026 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.12 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.841 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.4 -41.06 72.2 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.195 0.452 . . . . 0.0 110.959 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.92 -21.04 66.0 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.483 -0.135 . . . . 0.0 110.972 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -84.25 -34.06 23.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.807 0.443 . . . . 0.0 111.328 -176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.136 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 108.42 10.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.5 146.67 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.31 155.12 46.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -118.26 144.77 45.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.09 165.43 36.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -107.5 154.86 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -56.18 124.24 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 -3.46 24.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.632 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -104.18 -179.31 3.91 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.545 1.172 . . . . 0.0 112.179 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -138.76 165.65 26.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mt -144.12 165.86 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.383 1.873 . . . . 0.0 108.165 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.18 153.38 51.98 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 121.521 0.676 . . . . 0.0 112.221 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.11 144.39 23.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -138.85 40.23 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -129.93 10.62 5.5 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.337 0.655 . . . . 0.0 109.594 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.88 9.75 1.96 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.213 0.605 . . . . 0.0 111.938 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 146.66 33.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.218 0.917 . . . . 0.0 110.388 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.0 m -138.45 155.88 48.06 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.357 1.063 . . . . 0.0 108.303 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -133.32 149.15 31.06 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -176.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -139.96 151.89 45.89 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 6.1 tp -115.12 89.95 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.88 -32.33 73.78 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.47 -173.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.74 -170.24 35.23 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.91 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.11 164.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.026 0 C-N-CA 122.972 0.509 . . . . 0.0 110.163 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -152.94 102.64 2.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.14 -111.05 3.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.51 0.35 20.86 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.938 0.495 . . . . 0.0 111.046 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -80.01 156.78 27.0 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -143.1 120.79 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -80.59 119.22 22.94 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.83 141.57 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.44 149.93 18.51 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 1' ' ' MET . 69.5 mt -137.19 145.15 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -135.82 105.68 6.22 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.18 155.89 50.57 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.59 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.58 151.46 58.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.928 2.419 . . . . 0.0 110.144 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -64.65 -2.43 2.43 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 122.16 -0.337 . . . . 0.0 110.642 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.83 -11.47 60.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.013 0.925 . . . . 0.0 110.7 173.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.24 160.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 C-N-CA 123.619 0.768 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 156.13 17.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 111.545 -175.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.83 133.85 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -158.06 172.95 17.49 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.373 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.28 160.25 32.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.47 -28.2 69.04 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.73 -9.7 59.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.916 0.886 . . . . 0.0 112.167 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.45 -34.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 C-N-CA 123.707 0.803 . . . . 0.0 109.957 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -54.71 -38.93 67.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.036 0.38 . . . . 0.0 111.411 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.86 -21.93 66.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.444 -0.16 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -87.01 -30.6 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.646 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 tpp . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 105.4 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.28 147.33 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -140.9 161.06 38.71 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -120.08 144.97 47.31 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -147.79 137.03 22.31 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.409 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -87.52 150.21 23.87 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.44 131.38 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.86 0.33 42.14 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.291 -0.727 . . . . 0.0 113.242 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -112.32 -176.66 2.97 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.537 1.169 . . . . 0.0 110.495 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -140.83 169.8 16.95 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.3 mt -143.99 165.07 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.242 1.817 . . . . 0.0 107.469 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -136.85 153.63 50.72 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.701 . . . . 0.0 112.36 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -141.91 144.1 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.312 1.045 . . . . 0.0 108.539 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.32 -140.27 40.1 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -130.25 10.73 5.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.483 0.713 . . . . 0.0 109.722 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.1 9.25 2.53 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.443 0.697 . . . . 0.0 111.902 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.95 146.21 34.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.08 0.854 . . . . 0.0 110.513 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -138.41 155.66 48.29 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.047 0.939 . . . . 0.0 108.469 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.72 147.36 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -143.9 120.9 11.37 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 22' ' ' ILE . 3.0 tp -76.61 93.84 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.44 -29.82 69.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.146 -0.346 . . . . 0.0 111.317 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.98 -170.17 34.8 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.678 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.72 164.43 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.87 96.48 2.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -115.8 7.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 108.368 -1.893 . . . . 0.0 108.368 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -103.93 0.98 30.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.116 0.458 . . . . 0.0 110.15 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -78.79 160.35 27.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -139.98 120.15 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -80.94 118.78 22.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -120.1 122.94 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.72 149.5 19.32 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.16 145.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -135.3 104.25 5.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.75 154.06 51.29 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.843 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.94 151.74 68.16 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.783 2.322 . . . . 0.0 110.256 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.28 -2.81 3.32 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.94 -11.96 59.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.23 1.012 . . . . 0.0 110.971 173.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -138.64 160.37 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.858 0.863 . . . . 0.0 109.556 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.66 157.07 16.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.946 0.403 . . . . 0.0 111.516 -175.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.25 133.16 3.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -157.15 167.23 30.99 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 122.722 0.409 . . . . 0.0 111.099 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -69.54 160.64 31.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 169.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.04 -23.58 65.9 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.187 -0.32 . . . . 0.0 110.786 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.54 -3.43 58.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.335 0.654 . . . . 0.0 111.866 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -118.57 -33.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 123.693 0.797 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -56.35 -38.85 71.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.001 -0.437 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.88 -21.05 66.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.44 -0.162 . . . . 0.0 111.017 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -87.02 -36.36 18.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.628 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 118.536 0.607 . . . . 0.0 109.513 176.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.69 108.42 11.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.59 147.33 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.3 159.19 42.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -117.89 142.22 47.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.7 128.61 15.41 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.353 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -79.34 149.25 31.79 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -57.56 132.28 21.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 O-C-N 121.763 -0.586 . . . . 0.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 -0.4 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.969 -0.906 . . . . 0.0 112.903 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -108.85 -176.55 3.07 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.323 1.061 . . . . 0.0 110.664 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.3 m -139.69 167.52 21.91 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -171.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -143.64 165.7 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.287 1.835 . . . . 0.0 107.26 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.31 153.86 47.81 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.685 -0.635 . . . . 0.0 112.218 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.16 142.92 27.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 -140.68 37.22 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.41 12.5 5.47 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.614 0.766 . . . . 0.0 110.044 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -137.83 7.91 2.76 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.664 0.786 . . . . 0.0 111.909 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.28 146.43 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.279 0.945 . . . . 0.0 110.799 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -139.84 156.58 46.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.263 1.025 . . . . 0.0 108.254 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -136.0 147.12 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 55.6 m -142.78 123.3 14.01 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -78.74 93.62 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.45 -30.49 70.22 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.69 -170.07 34.62 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.407 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.96 162.32 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 122.558 0.343 . . . . 0.0 110.272 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -146.6 82.68 1.59 Allowed 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -111.86 3.44 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -171.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.23 -1.92 26.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.937 0.369 . . . . 0.0 110.426 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -78.58 155.52 29.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.5 t -142.71 118.81 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -78.5 118.94 21.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -121.14 123.35 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.96 149.85 19.17 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.2 145.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.3 105.09 5.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.56 156.16 52.94 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.948 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.17 151.73 55.4 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.864 2.376 . . . . 0.0 110.279 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.22 -5.79 5.6 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.219 -0.301 . . . . 0.0 110.563 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.72 -8.59 36.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.085 0.954 . . . . 0.0 111.213 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.65 160.33 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.234 0.614 . . . . 0.0 109.784 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.38 156.79 16.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 111.341 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 133.71 4.47 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -156.95 165.62 35.65 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.697 0.284 . . . . 0.0 111.696 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -67.15 155.58 38.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -65.31 -23.39 67.0 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.767 -0.583 . . . . 0.0 110.435 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.41 -2.85 54.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.305 0.642 . . . . 0.0 111.93 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -119.6 -35.71 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 124.252 1.021 . . . . 0.0 110.033 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -56.98 -37.44 71.61 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.975 -0.453 . . . . 0.0 110.852 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.57 -22.93 67.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.23 -0.293 . . . . 0.0 110.834 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -87.16 -35.03 18.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.211 0.604 . . . . 0.0 111.833 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.531 0.236 0 CA-C-N 119.011 0.823 . . . . 0.0 109.074 176.729 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.85 -0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 104.29 9.45 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.86 147.33 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.112 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -141.34 155.84 45.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.6 p -115.61 141.06 48.57 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.05 128.16 15.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.87 149.8 32.37 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -56.59 138.11 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.076 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -3.85 58.42 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.812 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -104.3 -175.53 2.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.518 1.159 . . . . 0.0 110.353 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.54 167.77 21.37 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -172.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -144.16 165.38 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 125.97 1.708 . . . . 0.0 107.533 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.9 154.0 49.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.655 -0.653 . . . . 0.0 112.227 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.3 mt -142.31 144.7 24.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -139.25 41.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.35 10.69 5.31 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.662 0.785 . . . . 0.0 109.438 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -139.63 8.39 2.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.42 0.688 . . . . 0.0 111.997 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.26 145.74 35.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 119.081 0.855 . . . . 0.0 110.514 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -137.73 154.98 49.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -135.43 148.54 28.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -176.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.8 m -143.63 124.83 14.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -79.26 93.37 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.07 -32.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.884 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.37 -172.42 35.36 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.294 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.63 161.9 39.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 122.83 0.452 . . . . 0.0 110.448 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -150.08 105.5 3.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.47 0.34 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 -173.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -126.32 2.7 7.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.409 0.684 . . . . 0.0 110.506 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -73.93 160.44 31.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -141.36 124.74 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -90.06 125.06 35.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -127.57 127.96 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.3 148.68 18.79 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.65 144.86 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -135.75 103.99 5.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.14 155.37 54.81 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.169 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.64 152.51 59.33 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.676 2.251 . . . . 0.0 110.007 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.85 -3.55 5.26 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.471 0.177 . . . . 0.0 110.534 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.55 -8.25 45.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 111.27 172.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.1 160.67 29.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.157 0.583 . . . . 0.0 109.505 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.96 156.05 17.61 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 111.721 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.86 133.23 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -157.34 168.03 28.55 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.559 0.695 . . . . 0.0 112.803 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -66.86 149.89 49.95 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 167.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -58.63 -34.55 71.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.584 -0.698 . . . . 0.0 111.824 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.2 -12.12 60.04 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.3 -34.62 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 123.296 0.639 . . . . 0.0 109.611 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.32 -43.73 75.2 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 118.003 0.365 . . . . 0.0 110.76 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.85 -20.66 65.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -81.7 -37.64 27.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.971 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.179 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 110.6 12.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.65 146.72 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.186 0.594 . . . . 0.0 109.598 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -140.46 158.86 43.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.6 p -122.65 143.61 49.66 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 110.018 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -155.77 161.83 40.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.881 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -99.82 164.56 11.97 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.92 140.22 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.732 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.15 -7.19 64.26 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 123.747 0.689 . . . . 0.0 112.718 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -86.01 -170.64 3.19 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.132 0.966 . . . . 0.0 112.798 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -150.43 157.75 43.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.928 0.891 . . . . 0.0 111.115 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mm -144.91 165.24 12.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.731 1.612 . . . . 0.0 107.849 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.66 151.89 51.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.681 0.673 . . . . 0.0 111.818 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -144.62 141.64 23.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.02 -138.92 44.33 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.57 10.34 5.17 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.8 8.82 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.324 0.65 . . . . 0.0 111.849 -174.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.71 144.57 36.98 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -141.09 155.76 46.09 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -131.05 149.32 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -174.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -134.74 147.49 50.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.41 90.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.25 -29.03 70.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.5 -169.4 33.36 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.394 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.99 162.85 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.022 0 C-N-CA 122.673 0.389 . . . . 0.0 109.977 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -151.3 106.69 3.34 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.29 -97.66 0.34 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -173.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -125.35 0.31 7.68 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.21 160.06 32.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.45 116.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -79.2 111.73 15.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.25 121.52 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.92 149.52 19.38 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -134.52 145.14 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -134.22 102.0 5.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.51 155.28 49.38 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.49 151.8 53.64 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.062 2.508 . . . . 0.0 110.425 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.89 -5.31 5.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.218 -0.301 . . . . 0.0 110.608 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -8.9 36.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.239 1.016 . . . . 0.0 111.429 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.11 160.52 29.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 123.641 0.776 . . . . 0.0 109.388 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.87 16.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 111.541 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.19 132.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -157.25 167.83 29.19 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.75 0.31 . . . . 0.0 111.025 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -70.87 160.21 33.22 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -66.06 -23.58 66.56 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.995 -0.441 . . . . 0.0 110.437 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.11 -2.89 57.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.415 0.686 . . . . 0.0 111.908 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.3 mm -119.31 -34.16 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 124.063 0.945 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.59 -38.6 72.24 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.921 0.328 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.06 -20.88 66.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.48 -0.137 . . . . 0.0 110.857 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.99 -37.39 17.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.61 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 118.875 0.761 . . . . 0.0 109.408 177.18 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 tpp . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 108.89 11.82 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.81 144.65 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.01 134.57 26.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -92.01 147.05 23.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 1.9 tpm_? -150.31 141.67 23.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 8.9 tptm -90.82 151.56 21.12 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 m -57.4 135.4 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.46 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.22 -0.767 . . . . 0.0 112.851 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -114.89 -175.72 2.75 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.41 1.105 . . . . 0.0 110.74 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -141.38 170.61 15.41 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -144.36 165.45 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.346 1.859 . . . . 0.0 107.458 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -137.57 153.42 49.95 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.507 -0.745 . . . . 0.0 112.069 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.8 mt -142.97 142.62 25.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -141.14 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.95 11.36 5.58 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.308 0.643 . . . . 0.0 110.301 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.55 7.56 2.8 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.768 0.827 . . . . 0.0 111.615 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.52 147.7 33.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 CA-C-N 119.277 0.944 . . . . 0.0 110.274 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.2 m -139.83 154.46 47.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.23 149.14 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m -140.41 149.18 42.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.18 89.26 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 mt -65.13 -32.19 73.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.298 -173.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.4 -170.45 36.41 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.631 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.18 164.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 123.075 0.55 . . . . 0.0 109.752 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -152.75 86.97 1.27 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.92 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.57 0.16 35.94 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -75.78 160.19 30.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.153 0.501 . . . . 0.0 110.449 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -142.37 120.5 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -83.74 121.18 26.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 169.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.19 142.55 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.87 151.29 18.04 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.06 145.11 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.62 103.73 5.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.14 155.57 58.3 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.171 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.0 152.12 62.64 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.002 2.468 . . . . 0.0 110.346 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.41 -3.55 4.43 Favored 'General case' 0 CA--C 1.528 0.102 0 O-C-N 122.374 -0.204 . . . . 0.0 110.655 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.96 -11.2 55.92 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.193 0.997 . . . . 0.0 110.818 172.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.21 160.7 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.895 0.878 . . . . 0.0 109.594 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.24 157.24 17.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.977 0.418 . . . . 0.0 111.479 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.17 132.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -157.1 163.15 39.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.641 0.258 . . . . 0.0 111.635 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -64.47 161.76 16.57 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.4 -30.22 70.54 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -78.71 -9.01 59.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -112.13 -32.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 110.101 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.08 -37.15 71.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 117.777 0.262 . . . . 0.0 111.193 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.62 -20.88 66.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.085 -0.052 . . . . 0.0 110.984 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.26 -37.13 17.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.567 0.347 . . . . 0.0 111.334 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.8 mp . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.84 107.96 10.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.51 143.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.83 134.4 26.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -97.8 147.19 24.65 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.505 ' HE ' ' CG2' ' C' ' 22' ' ' ILE . 8.1 ptt180 -152.1 -178.0 6.51 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.771 173.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.83 153.14 46.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -173.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.76 124.18 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.997 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.8 3.45 30.23 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.475 -0.625 . . . . 0.0 112.677 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -110.86 -176.54 2.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.245 1.022 . . . . 0.0 111.628 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -149.03 167.59 25.42 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.971 0.508 . . . . 0.0 112.332 -174.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.467 HD12 HH11 ' C' ' 6' ' ' ARG . 10.8 mt -145.61 164.47 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.725 1.61 . . . . 0.0 107.855 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -130.7 153.53 48.89 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.386 0.612 . . . . 0.0 111.736 -175.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -142.99 139.6 27.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.19 -140.53 35.63 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -130.08 11.88 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.323 0.649 . . . . 0.0 110.462 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -137.32 7.98 2.88 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.647 0.779 . . . . 0.0 112.306 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.96 143.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.047 0.84 . . . . 0.0 110.577 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -139.84 154.36 47.3 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.43 149.26 32.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -140.41 153.15 46.22 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 122.871 0.468 . . . . 0.0 110.123 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 3.3 tp -112.4 97.76 6.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.92 -30.14 65.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.449 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.53 -169.83 35.05 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.08 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.77 165.75 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 123.036 0.534 . . . . 0.0 110.26 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.96 101.45 2.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.91 -111.69 4.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -170.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.402 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 2.0 mp0 -107.97 0.24 21.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 122.749 0.419 . . . . 0.0 111.183 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -79.45 157.44 27.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.9 t -143.07 118.92 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -78.91 114.67 18.04 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 mt -114.44 141.06 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.57 150.48 18.06 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -136.32 145.45 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -135.62 103.53 5.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.62 155.62 52.85 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.366 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.11 151.1 61.04 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.367 2.711 . . . . 0.0 110.25 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.51 -3.83 3.44 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.305 -0.247 . . . . 0.0 110.417 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.21 -11.36 57.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.957 0.903 . . . . 0.0 111.126 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.97 160.37 33.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 123.679 0.791 . . . . 0.0 109.663 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.31 156.59 16.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.731 0.301 . . . . 0.0 111.339 -175.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 131.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -157.1 164.11 38.24 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 122.816 0.446 . . . . 0.0 110.762 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.75 163.25 27.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -64.64 -24.74 67.68 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -172.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -86.69 -3.76 59.08 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.919 0.781 . . . . 0.0 112.166 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 mm -112.31 -33.65 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 C-N-CA 123.141 0.576 . . . . 0.0 109.896 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.89 -39.54 71.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.0 0.364 . . . . 0.0 110.962 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.43 -20.69 65.78 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.886 0.116 . . . . 0.0 110.948 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -86.76 -35.77 18.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.734 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 118.67 0.668 . . . . 0.0 109.268 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.23 111.29 15.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.05 147.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.079 0.552 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.75 158.42 43.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -122.27 138.54 54.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.417 HH21 ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -153.96 144.18 22.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.466 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -82.74 159.93 22.44 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.268 1.027 . . . . 0.0 108.961 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.37 145.81 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.568 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 -2.22 86.23 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.901 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -97.08 -171.93 2.33 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.636 1.218 . . . . 0.0 112.128 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.417 ' HA ' HH21 ' A' ' 6' ' ' ARG . 69.5 m -142.35 158.3 43.86 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.48 0.712 . . . . 0.0 111.256 -169.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.8 mm -146.7 165.2 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.6 1.56 . . . . 0.0 107.203 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -139.75 153.4 47.17 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.975 0.807 . . . . 0.0 112.51 -175.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.47 146.36 20.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.617 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 -142.39 39.03 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -128.43 10.56 6.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.595 0.758 . . . . 0.0 109.525 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.72 10.19 1.8 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.59 0.756 . . . . 0.0 111.782 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.83 145.39 35.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.093 0.86 . . . . 0.0 110.883 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 m -137.35 154.23 50.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -132.73 148.24 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -135.79 154.79 51.1 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -118.19 96.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.61 -29.35 69.37 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.509 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.85 -170.99 33.16 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.216 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.13 162.28 40.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.113 0 C-N-CA 122.661 0.384 . . . . 0.0 110.412 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -150.78 105.47 3.28 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.36 -97.08 0.36 Allowed Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 -173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.37 -0.71 6.96 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 123.179 0.592 . . . . 0.0 110.864 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 27.6 mt-30 -72.9 154.38 40.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 172.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.47 114.16 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -77.93 101.98 7.1 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 171.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -99.31 146.44 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.37 150.2 16.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' C' ' 1' ' ' MET . 68.2 mt -135.13 144.89 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -135.29 102.0 5.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.58 153.96 55.63 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.118 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.7 152.09 64.17 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.995 2.464 . . . . 0.0 110.421 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.54 -3.11 4.03 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.332 -0.23 . . . . 0.0 110.416 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.59 -11.87 59.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.155 0.982 . . . . 0.0 110.732 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.94 161.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.094 0.958 . . . . 0.0 109.317 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.84 157.53 17.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.859 0.362 . . . . 0.0 111.324 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.13 136.26 7.47 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -157.91 164.43 36.89 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.457 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -74.44 163.23 28.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 169.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.09 -23.82 66.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.37 0.1 56.57 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.333 0.515 . . . . 0.0 111.839 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -118.29 -33.85 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 123.712 0.805 . . . . 0.0 109.458 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.17 -46.72 72.4 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.217 -0.302 . . . . 0.0 110.72 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -61.34 -24.24 66.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.01 0.524 . . . . 0.0 111.464 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.99 -43.13 55.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 45.6 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.754 -0.165 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.69 110.89 14.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 174.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.28 145.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.322 0.649 . . . . 0.0 109.628 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.96 134.62 26.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -93.82 145.66 24.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.596 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 1.3 tpm_? -149.16 131.15 15.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.426 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.4 tptm -80.98 147.69 30.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -55.56 138.39 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.151 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.67 -9.39 55.46 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.062 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -101.3 -174.46 2.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.369 1.085 . . . . 0.0 111.151 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.44 169.67 17.24 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -145.94 165.44 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 107.64 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -138.63 153.66 48.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.509 -0.745 . . . . 0.0 112.084 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -143.21 144.78 23.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.5 -139.84 44.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.98 10.26 5.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.564 0.745 . . . . 0.0 109.373 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -141.87 8.92 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.742 0.817 . . . . 0.0 111.995 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.7 147.01 33.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 119.132 0.878 . . . . 0.0 111.098 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -138.78 155.22 48.36 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.368 1.067 . . . . 0.0 108.226 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.88 147.06 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -142.72 119.63 11.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -76.51 91.19 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.87 -31.19 72.3 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.053 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.42 -170.29 33.96 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.866 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.06 165.2 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.604 0.361 . . . . 0.0 110.475 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -153.21 105.06 2.85 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.26 -96.66 0.41 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -126.1 1.17 7.2 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 123.498 0.719 . . . . 0.0 110.587 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -72.62 160.61 31.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.95 120.61 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -83.77 120.77 26.44 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 170.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -123.9 122.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.77 147.2 18.51 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 108.104 -1.998 . . . . 0.0 108.104 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.14 144.33 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -135.56 105.1 6.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.98 156.33 51.25 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.098 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.34 152.83 55.72 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.064 2.51 . . . . 0.0 110.007 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.37 -5.08 6.53 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.025 -0.422 . . . . 0.0 110.407 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -68.14 -8.02 34.88 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.721 0.809 . . . . 0.0 110.893 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.12 160.66 29.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 C-N-CA 123.601 0.761 . . . . 0.0 109.615 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.61 16.64 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.694 -176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 130.02 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -157.56 171.26 20.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 112.001 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -72.94 162.33 29.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.21 -34.26 76.13 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.027 -0.421 . . . . 0.0 110.773 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -78.83 -9.75 59.57 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -106.58 -32.49 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 C-N-CA 123.395 0.678 . . . . 0.0 109.659 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.57 -41.9 77.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.213 -0.305 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.35 -21.18 66.11 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.349 -0.22 . . . . 0.0 111.323 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -84.39 -36.12 22.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.332 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.622 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 tpp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.642 -0.133 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.36 108.79 11.15 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.75 146.44 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.144 0.578 . . . . 0.0 109.446 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -141.93 158.97 43.15 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 174.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 p -120.89 141.61 50.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.3 mmp_? -144.69 134.4 23.54 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -76.62 154.08 34.69 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 m -59.58 131.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 118.617 -1.233 . . . . 0.0 110.118 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.64 -16.03 37.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.583 0.611 . . . . 0.0 112.419 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -84.76 -178.7 6.93 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.027 0.913 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -143.26 167.42 22.17 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.451 0.643 . . . . 0.0 112.507 -174.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' C' ' 44' ' ' ARG . 29.2 mm -142.98 165.2 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.364 1.865 . . . . 0.0 107.627 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.11 153.97 46.87 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.628 -0.67 . . . . 0.0 112.297 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -143.37 142.96 25.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.07 0.948 . . . . 0.0 108.701 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -140.74 41.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.38 10.8 5.31 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.279 0.632 . . . . 0.0 109.858 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -138.99 8.29 2.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.736 0.815 . . . . 0.0 112.024 -177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.63 146.24 34.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 118.782 0.719 . . . . 0.0 110.605 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.0 m -138.15 155.11 49.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.339 1.055 . . . . 0.0 108.233 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mm -136.3 148.5 27.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.6 m -144.01 129.8 19.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -82.48 93.04 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.96 -30.62 71.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.07 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.25 -169.18 33.72 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.811 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.24 162.42 39.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.776 0.43 . . . . 0.0 110.191 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -152.9 94.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.55 -123.97 9.37 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 -170.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.22 2.0 45.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -79.63 160.36 26.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.06 120.12 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.51 117.41 20.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.08 128.95 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.07 150.13 16.82 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -134.05 145.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.66 103.46 5.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.92 154.02 54.54 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 123.867 0.867 . . . . 0.0 108.7 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -66.57 150.47 83.91 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.782 2.321 . . . . 0.0 109.39 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -5.86 4.78 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.176 -0.327 . . . . 0.0 110.208 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.96 -10.73 41.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.921 1.288 . . . . 0.0 111.531 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -136.48 159.39 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.15 153.72 17.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.323 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -153.41 132.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -155.86 164.14 38.9 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 122.897 0.479 . . . . 0.0 110.017 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -77.52 160.24 28.76 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.1 -24.16 66.03 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -169.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -85.98 -5.6 59.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.241 0.928 . . . . 0.0 111.965 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -111.3 -33.85 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.31 0.644 . . . . 0.0 109.715 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.7 -40.5 72.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.054 0.388 . . . . 0.0 111.163 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -64.13 -20.48 66.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.232 0.213 . . . . 0.0 111.145 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -85.88 -36.58 19.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.142 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.627 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.33 106.11 9.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.41 144.87 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.363 0.665 . . . . 0.0 109.258 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.22 134.56 27.82 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -93.24 147.87 22.53 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -149.74 135.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.44 149.42 25.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.25 129.05 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.0 0.56 35.94 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.999 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -112.92 -174.91 2.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.495 1.148 . . . . 0.0 110.687 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -140.82 170.49 15.65 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.0 mt -144.35 165.36 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.643 1.977 . . . . 0.0 107.691 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -139.75 153.74 47.25 Favored 'General case' 0 C--N 1.338 0.093 0 O-C-N 121.707 -0.621 . . . . 0.0 112.252 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -143.25 142.73 25.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.39 -141.31 34.9 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.73 11.23 5.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.356 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -136.58 7.59 3.04 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.69 0.796 . . . . 0.0 111.881 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.81 146.67 33.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 CA-C-N 119.2 0.909 . . . . 0.0 110.594 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -138.42 155.59 48.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -136.54 149.23 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -141.53 151.21 43.05 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.02 90.17 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.04 -31.19 72.3 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.042 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.02 34.33 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.718 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.97 163.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.838 0.455 . . . . 0.0 110.151 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.0 t -153.24 107.2 3.06 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -96.72 0.3 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -126.12 -0.33 7.14 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.278 0.631 . . . . 0.0 110.449 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.22 160.64 32.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.09 120.21 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -80.97 116.51 20.97 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -117.34 136.86 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.81 149.96 18.42 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.5 145.04 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -136.59 103.57 5.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.47 155.71 60.58 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.523 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.99 152.03 62.59 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.14 2.56 . . . . 0.0 110.144 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.71 -2.12 3.36 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.202 -0.311 . . . . 0.0 110.755 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.99 -11.3 58.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.91 0.884 . . . . 0.0 110.781 172.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.37 160.72 31.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.7 0.8 . . . . 0.0 109.472 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.46 157.51 16.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.13 135.63 7.92 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -157.8 169.78 23.83 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.383 0.273 . . . . 0.0 111.248 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.423 ' HA ' HD13 ' A' ' 12' ' ' ILE . 72.9 mtm-85 -72.02 157.55 37.6 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 170.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.88 -23.3 67.19 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.679 -0.638 . . . . 0.0 110.731 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.43 -4.39 58.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.327 0.651 . . . . 0.0 111.528 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mm -115.45 -35.04 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.288 0.635 . . . . 0.0 110.186 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.55 -37.61 70.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.997 -0.44 . . . . 0.0 110.975 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.76 -20.48 65.96 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 121.958 0.103 . . . . 0.0 110.893 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.14 -35.54 21.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.499 -0.185 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.72 104.96 9.31 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.45 148.13 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.09 163.81 31.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -125.35 138.99 54.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.601 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -146.55 133.72 20.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.128 -176.241 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' CD ' ' HG3' ' C' ' 29' ' ' GLN . 2.8 tptm -80.66 148.1 30.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.37 135.78 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.873 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.57 -5.98 44.64 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.016 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -108.06 -174.59 2.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.692 1.246 . . . . 0.0 110.753 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m -140.02 170.3 16.1 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -144.49 165.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.446 1.898 . . . . 0.0 107.471 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -138.1 153.89 49.25 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.463 -0.773 . . . . 0.0 112.12 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -142.27 143.72 25.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.85 40.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -129.76 10.79 5.6 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.316 0.646 . . . . 0.0 109.549 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.53 9.14 2.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.737 0.815 . . . . 0.0 111.736 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.73 147.02 32.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 119.14 0.882 . . . . 0.0 110.544 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -138.38 154.76 48.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 108.429 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.61 148.99 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -144.33 126.0 15.1 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -79.87 89.37 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -64.69 -30.47 71.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.297 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.609 174.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.37 163.47 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 122.795 0.438 . . . . 0.0 110.255 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -153.66 106.82 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.69 -97.35 0.41 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -126.14 -0.49 7.12 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.281 0.632 . . . . 0.0 110.677 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.88 160.42 32.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.2 119.51 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -79.31 119.83 22.92 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.84 124.58 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.32 148.48 18.89 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' C' ' 1' ' ' MET . 61.9 mt -136.19 145.04 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -136.28 103.32 5.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.28 57.76 Favored Pre-proline 0 N--CA 1.45 -0.432 0 C-N-CA 123.829 0.852 . . . . 0.0 108.873 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.43 151.04 64.98 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.109 2.539 . . . . 0.0 110.096 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.21 -2.09 2.72 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.113 -0.367 . . . . 0.0 110.48 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.92 -11.29 60.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.326 1.051 . . . . 0.0 110.733 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.16 160.49 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.663 0.785 . . . . 0.0 109.409 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.75 157.29 16.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.377 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.36 133.79 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -156.6 170.72 21.73 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -72.77 160.24 32.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.12 -23.37 65.81 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.144 -0.347 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.69 -3.31 58.48 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.058 0.543 . . . . 0.0 111.654 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -119.03 -33.54 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 123.735 0.814 . . . . 0.0 110.137 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -56.71 -36.97 70.29 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 122.188 -0.32 . . . . 0.0 110.97 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -65.22 -20.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.475 -0.141 . . . . 0.0 111.147 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.08 -35.67 18.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.678 0.391 . . . . 0.0 111.396 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.642 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.73 -18.07 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -101.82 3.23 39.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.271 0.629 . . . . 0.0 111.374 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.41 -31.26 4.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 149.5 152.33 5.72 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -164.42 172.93 12.75 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.979 0.512 . . . . 0.0 111.253 -177.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -146.56 -2.67 0.65 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.686 0.794 . . . . 0.0 111.104 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.441 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -69.02 -35.72 6.59 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 54.3 Cg_exo -54.71 171.24 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.288 2.659 . . . . 0.0 113.689 174.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 CA--C 1.527 0.093 0 C-N-CA 123.326 0.651 . . . . 0.0 111.756 -179.573 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 C5'-C4'-C3' 111.644 -2.571 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.538 -3.162 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.627 -3.073 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 111.178 2.978 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.024 -3.676 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.516 ' C5 ' ' NE2' ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 112.033 3.833 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.759 3.559 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.421 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.193 2.993 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.421 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.338 1 C5'-C4'-C3' 109.272 -4.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.682 3.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C3'-C2'-C1' 103.675 2.416 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 P-O3'-C3' 122.269 2.141 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C3'-C2'-C1' 104.031 2.812 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C5'-C4'-C3' 111.657 -2.562 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 O4'-C1'-N19 110.066 1.866 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 C5'-C4'-C3' 108.429 -4.714 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 99.77 -2.93 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.229 -3.471 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 100.014 -2.686 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.583 -3.117 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.328 -3.372 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.875 -2.825 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.4 110.63 13.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.82 146.48 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -141.03 159.92 41.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -118.62 142.48 47.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.61 127.99 14.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.096 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -76.48 150.81 36.6 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.3 140.15 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.795 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.55 -2.82 62.92 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.839 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -105.88 -175.19 2.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.489 1.144 . . . . 0.0 110.507 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -139.83 168.15 20.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -141.75 165.49 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 126.383 1.873 . . . . 0.0 107.537 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -140.29 153.54 46.51 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.516 -0.74 . . . . 0.0 112.683 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 108.744 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.62 -140.24 40.99 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.74 10.71 5.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.655 0.782 . . . . 0.0 109.681 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.67 8.95 1.97 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.491 0.716 . . . . 0.0 111.986 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 144.98 36.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 CA-C-N 119.205 0.912 . . . . 0.0 110.215 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -137.56 156.03 48.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -136.87 147.99 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.5 m -142.09 125.3 16.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -80.33 91.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -66.09 -31.4 72.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.932 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.0 -172.86 35.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.945 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.59 160.64 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 122.718 0.407 . . . . 0.0 110.444 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 p -153.14 113.93 4.09 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.79 -100.56 0.45 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -172.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.35 -0.48 7.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.866 0.466 . . . . 0.0 110.447 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.516 ' NE2' ' C5 ' ' B' ' 3' ' ' ' U' . 63.4 mt-30 -74.09 154.93 38.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -141.87 119.92 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 53.0 mtt85 -78.98 118.47 21.01 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 mt -121.58 119.54 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.44 151.9 20.03 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -136.1 145.01 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.48 104.7 5.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.3 154.84 50.07 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.732 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.12 151.93 61.77 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.883 2.389 . . . . 0.0 110.141 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.71 -2.28 3.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.338 -0.226 . . . . 0.0 110.522 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.13 -11.48 59.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.253 1.021 . . . . 0.0 110.919 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.12 160.6 32.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.918 0.887 . . . . 0.0 109.397 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 156.79 17.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.38 133.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -158.16 167.54 29.54 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 122.684 0.394 . . . . 0.0 110.975 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -69.75 160.54 31.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -67.05 -23.52 65.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.85 -5.45 59.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.894 0.478 . . . . 0.0 111.919 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 mm -115.52 -35.18 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 C-N-CA 123.749 0.82 . . . . 0.0 110.075 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -54.95 -37.72 66.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.931 0.332 . . . . 0.0 111.183 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.44 -20.56 66.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.098 0.159 . . . . 0.0 111.287 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -87.23 -31.54 20.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.589 0.356 . . . . 0.0 111.549 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.403 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp -65.04 -18.39 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.7 3.57 29.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.649 0.779 . . . . 0.0 112.684 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.3 -11.84 13.65 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.52 -2.69 2.02 Favored Glycine 0 CA--C 1.527 0.783 0 CA-C-N 119.101 0.864 . . . . 0.0 113.118 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.4 HD22 ' N ' ' C' ' 55' ' ' LEU . 2.3 mm? 63.68 160.39 0.1 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.521 1.528 . . . . 0.0 112.884 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.5 p -147.86 4.46 0.75 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.435 1.094 . . . . 0.0 110.048 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.522 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -154.03 44.8 0.25 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 81.8 Cg_exo -47.64 -41.58 30.45 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.779 2.32 . . . . 0.0 113.489 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 123.238 0.615 . . . . 0.0 110.668 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.425 -3.275 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 99.31 -3.39 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.461 -3.239 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.733 -2.967 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 98.9 -3.8 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.985 3.785 . 0.56 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.325 -3.375 . 0.395 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.427 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.076 2.876 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.427 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 C5'-C4'-C3' 109.488 -4.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 O4'-C1'-N19 111.816 3.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 110.761 2.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O5'-C5'-C4' 112.606 1.719 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C3'-C2'-C1' 104.322 3.135 . 0.089 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.544 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C5'-C4'-C3' 111.638 -2.574 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 C5'-C4'-C3' 107.714 -5.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C4'-C3'-C2' 99.974 -2.726 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.358 -3.342 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.907 -2.793 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.648 -3.052 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.555 -3.145 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C4'-C3'-C2' 99.932 -2.768 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 119.675 -0.202 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.65 109.18 11.81 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.3 145.34 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.81 134.97 25.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -93.62 143.69 26.07 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.621 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -146.41 129.38 16.4 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -78.62 146.38 34.15 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -56.41 123.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.55 -6.81 16.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.237 -0.757 . . . . 0.0 113.396 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -108.29 -174.69 2.58 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.844 1.322 . . . . 0.0 111.538 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 m -140.48 169.88 16.84 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -171.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.61 164.78 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.363 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -136.76 153.56 50.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.651 0.66 . . . . 0.0 111.689 -175.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -142.76 138.97 28.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.099 0.96 . . . . 0.0 108.73 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.89 -139.32 40.52 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.26 10.35 5.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.353 0.661 . . . . 0.0 110.176 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -138.0 7.91 2.72 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.327 0.651 . . . . 0.0 111.724 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.54 145.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.977 0.808 . . . . 0.0 110.592 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.2 m -138.69 154.74 48.61 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -133.95 148.93 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -142.08 144.51 33.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.74 90.69 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.55 -30.78 71.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.056 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.46 -167.58 33.54 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.25 167.22 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.226 0.536 . . . . 0.0 110.369 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -145.85 60.84 1.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.988 1.315 . . . . 0.0 107.864 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -114.42 3.83 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.461 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -94.67 -2.63 50.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.97 160.71 23.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -138.82 123.76 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 30.0 mtm180 -82.26 116.55 21.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 171.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -118.34 136.54 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.94 148.63 17.79 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.8 mt -134.55 145.16 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -136.4 103.67 5.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.59 155.88 56.63 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.779 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.81 152.07 57.89 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.529 2.152 . . . . 0.0 110.248 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.55 -4.39 5.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.052 -0.405 . . . . 0.0 110.47 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.07 -9.28 44.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.298 1.039 . . . . 0.0 111.332 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.87 160.65 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.585 0.754 . . . . 0.0 109.28 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.25 156.98 17.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 111.856 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.41 135.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -157.02 167.71 29.64 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 111.558 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -68.01 154.26 41.99 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 169.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.11 -23.85 67.26 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.562 0.619 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.04 -4.4 56.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.851 0.461 . . . . 0.0 111.742 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.24 -35.24 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 110.23 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -56.26 -37.05 69.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 117.89 0.314 . . . . 0.0 111.146 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.42 -20.68 66.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.483 -0.136 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.417 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 60.7 ttm-85 -86.72 -36.19 18.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.551 0.34 . . . . 0.0 111.003 -177.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.6 -17.45 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -102.72 2.35 35.63 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.45 0.7 . . . . 0.0 111.452 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.09 -29.92 6.16 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.924 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 144.62 153.53 5.89 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -162.36 171.62 16.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.506 -0.408 . . . . 0.0 111.397 -178.432 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.8 p -141.32 7.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.66 0.784 . . . . 0.0 111.326 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -62.0 -34.39 15.7 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.324 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 55.9 Cg_exo -55.02 178.01 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.708 2.939 . . . . 0.0 113.523 172.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 CA--C 1.533 0.316 0 C-N-CA 123.626 0.771 . . . . 0.0 111.201 178.208 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.495 -3.205 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.359 -3.341 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.415 -3.285 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.259 -3.441 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 C4'-C3'-C2' 98.538 -4.162 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.712 3.512 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.884 3.684 OUTLIER-EPSILON 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.44 H5'' ' C4 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 P-O3'-C3' 124.379 3.899 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.418 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.237 1 C5'-C4'-C3' 109.392 -4.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.594 3.394 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 110.459 2.259 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 P-O3'-C3' 122.155 2.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C3'-C2'-C1' 104.465 3.294 . 0.095 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O4'-C1'-N19 110.495 2.295 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.519 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C5'-C4'-C3' 111.463 -2.691 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 1 C5'-C4'-C3' 108.502 -4.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.77 -2.93 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.219 -3.481 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.981 -2.719 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.79 -2.91 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.651 -3.049 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 100.081 -2.619 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 107.86 11.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.77 147.18 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -139.46 157.9 45.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -118.86 139.45 51.6 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.61 129.36 16.17 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.606 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.461 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 2.7 tptm -78.77 149.16 32.71 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.17 130.68 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.06 0.05 41.39 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.979 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -111.22 -176.38 2.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.323 1.062 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -140.64 169.76 17.05 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.39 165.33 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 126.142 1.777 . . . . 0.0 107.41 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -138.79 153.95 48.44 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.498 -0.751 . . . . 0.0 112.391 -176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -142.9 143.31 25.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.976 0.91 . . . . 0.0 108.853 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.25 -140.56 42.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.62 10.12 5.58 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.603 0.761 . . . . 0.0 109.702 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.73 9.7 1.99 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.393 0.677 . . . . 0.0 112.101 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.39 146.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.2 0 CA-C-N 119.045 0.839 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -137.43 154.24 49.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -134.46 149.1 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -141.46 150.86 42.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.66 88.25 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.13 -30.83 71.9 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.208 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.55 -168.46 33.75 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.945 175.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.93 161.83 40.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.0 p -153.5 98.23 2.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.62 -125.34 11.47 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -99.02 1.52 45.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.64 160.63 26.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -140.86 117.27 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -77.66 111.55 13.56 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -109.34 145.4 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.71 16.94 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -137.1 145.37 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -136.88 104.16 5.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.09 155.01 58.66 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.98 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 151.05 67.78 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.759 2.306 . . . . 0.0 110.198 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.12 -2.59 2.95 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.369 -0.207 . . . . 0.0 110.616 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.93 -11.34 58.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.307 1.043 . . . . 0.0 110.913 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 160.51 30.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 123.709 0.803 . . . . 0.0 109.526 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.53 156.18 17.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.13 132.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -157.62 166.84 31.81 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 122.389 0.275 . . . . 0.0 111.029 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.11 160.69 28.47 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -66.68 -23.72 66.17 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.032 -0.417 . . . . 0.0 110.519 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -85.85 -5.56 59.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.224 0.609 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.5 mm -114.22 -35.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 123.586 0.755 . . . . 0.0 109.875 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -54.94 -39.27 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.93 0.332 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.26 -20.72 66.55 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.89 -32.65 21.54 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.685 0.394 . . . . 0.0 111.65 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.434 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.6 mp -64.46 -18.53 23.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -105.55 3.1 28.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.567 0.747 . . . . 0.0 112.245 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.62 -9.45 13.75 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.09 -1.38 3.07 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 119.032 0.833 . . . . 0.0 113.038 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.2 mm? 63.06 164.4 0.11 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.062 1.345 . . . . 0.0 112.901 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -149.22 4.89 0.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.952 1.301 . . . . 0.0 109.569 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 64.57 8.18 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 123.927 0.891 . . . . 0.0 110.36 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -53.71 -171.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.817 3.678 . . . . 0.0 115.178 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.322 -174.085 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.491 -3.209 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.187 -3.513 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.367 -3.333 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.687 -3.013 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 99.475 -3.225 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 C4'-C3'-C2' 98.663 -4.037 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 112.489 4.289 OUTLIER-EPSILON 0.457 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.428 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 P-O3'-C3' 124.81 4.258 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.428 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C5'-C4'-C3' 109.84 -3.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.417 ' C5 ' ' HD2' ' A' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C1'-N19 111.887 3.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C3'-C2'-C1' 103.921 2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 P-O3'-C3' 122.1 2.0 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 104.111 2.901 . 0.05 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.105 2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.547 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 111.803 -2.465 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.44 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C4'-C3'-C2' 99.67 -3.03 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.364 -3.336 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 100.014 -2.686 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.842 -2.858 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.487 -3.213 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 100.155 -2.545 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.3 tpp . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.829 -0.129 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.68 111.78 14.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.65 145.74 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.149 0.58 . . . . 0.0 109.692 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -143.13 134.74 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -90.2 146.45 24.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -149.52 131.15 14.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.977 -0.452 . . . . 0.0 110.65 178.484 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -80.29 147.7 31.04 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.8 m -56.61 127.29 15.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.24 -4.69 26.83 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.192 -0.782 . . . . 0.0 113.063 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.0 -174.73 2.54 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.665 1.233 . . . . 0.0 111.394 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -140.41 171.35 14.26 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -144.35 165.15 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.452 1.901 . . . . 0.0 107.253 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -136.82 153.76 50.71 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.907 0.776 . . . . 0.0 112.799 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -142.79 142.42 26.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.201 1.0 . . . . 0.0 108.375 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -140.8 34.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.08 11.38 5.51 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.13 0.572 . . . . 0.0 110.168 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -137.31 8.38 2.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.599 0.759 . . . . 0.0 111.771 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.74 146.85 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 119.28 0.946 . . . . 0.0 110.858 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -139.32 154.98 47.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -134.23 149.27 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 m -142.18 151.11 41.88 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.35 91.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.11 -30.41 70.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.149 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.36 -171.1 34.6 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.264 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -135.31 164.33 33.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 122.626 0.371 . . . . 0.0 110.532 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -153.55 109.03 3.22 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.91 -98.01 0.33 Allowed Glycine 0 C--N 1.333 0.41 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.13 3.5 7.17 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 110.474 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 16.6 mt-30 -74.14 160.27 31.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.91 118.78 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -81.4 119.22 23.42 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -119.35 140.06 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 149.07 18.67 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' C' ' 1' ' ' MET . 63.0 mt -134.92 144.4 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.54 103.68 5.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.12 155.71 58.35 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.162 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.19 151.48 60.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.869 2.379 . . . . 0.0 110.037 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.39 -5.03 6.46 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.238 -0.289 . . . . 0.0 110.401 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -67.35 -8.59 33.78 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.4 1.08 . . . . 0.0 111.39 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.67 161.42 30.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.484 0.713 . . . . 0.0 109.433 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.2 156.93 17.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 111.5 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.13 132.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -157.16 165.25 36.52 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtp-105 -64.86 154.29 37.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.1 -23.95 67.51 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.88 -0.512 . . . . 0.0 112.288 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.5 -8.41 54.91 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.223 0.465 . . . . 0.0 111.717 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -102.76 -35.48 3.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 123.376 0.67 . . . . 0.0 109.728 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.96 -43.15 73.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.856 0.298 . . . . 0.0 110.661 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -64.01 -20.41 65.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.051 0.14 . . . . 0.0 111.061 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -84.89 -36.23 21.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.194 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.57 -18.61 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -99.05 4.31 47.03 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.998 0.519 . . . . 0.0 111.165 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.94 -13.97 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.47 151.02 5.89 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.531 ' HA ' ' H42' ' D' ' 7' ' ' ' C' . 2.9 mm? -126.17 153.83 44.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.483 0.642 . . . . 0.0 111.569 -171.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.0 t -152.38 1.84 0.33 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.532 1.133 . . . . 0.0 109.71 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.23 68.16 9.29 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 124.408 1.083 . . . . 0.0 108.898 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.06 175.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.899 3.733 . . . . 0.0 114.881 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 124.38 1.072 . . . . 0.0 112.42 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.595 -3.105 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.511 -3.189 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.453 -3.247 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.589 -3.111 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 98.896 -3.804 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 98.758 -3.942 . 0.636 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.436 " H2'" " O4'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.804 3.604 OUTLIER-EPSILON 0.364 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.436 " O4'" " H2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 P-O3'-C3' 125.569 4.891 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C5'-C4'-O4' 113.706 3.219 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C5'-C4'-C3' 112.311 -2.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O5'-C5'-C4' 112.952 1.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 C3'-C2'-C1' 104.26 3.067 . 0.071 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 111.122 2.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.566 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 C5'-C4'-C3' 108.36 -4.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.655 -3.045 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.411 3.211 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.979 -2.721 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.695 -3.005 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.566 -3.134 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.797 -2.903 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.8 tpp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 119.999 -0.048 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 110.0 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 176.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.23 145.12 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.38 135.07 26.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -96.8 147.08 24.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.11 161.81 41.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.49 174.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.402 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 2.5 tptm -103.26 152.6 21.32 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -56.21 131.12 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.487 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.99 -7.92 33.3 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.174 -0.792 . . . . 0.0 113.682 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -98.75 -179.1 4.19 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.813 1.307 . . . . 0.0 112.562 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m -139.84 166.07 25.62 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mt -144.11 165.4 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 126.298 1.839 . . . . 0.0 107.959 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.09 153.08 52.15 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-O 121.511 0.672 . . . . 0.0 112.383 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.22 143.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 124.625 1.17 . . . . 0.0 108.055 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.52 -140.49 36.96 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -130.25 10.67 5.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.455 0.702 . . . . 0.0 110.177 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -137.41 9.26 2.92 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.614 0.766 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.56 146.72 33.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.089 0.859 . . . . 0.0 110.69 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -139.43 155.62 47.49 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -133.75 149.22 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -140.29 152.1 45.61 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -112.2 86.11 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.46 -28.54 69.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.81 -168.82 32.92 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.723 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.8 163.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 122.723 0.409 . . . . 0.0 110.033 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -152.65 89.24 1.39 Allowed 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.29 -120.53 7.15 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.88 1.72 43.14 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 117.12 0.46 . . . . 0.0 109.84 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.4 160.5 26.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -140.65 118.32 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -80.14 113.16 18.11 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.19 142.34 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 149.56 18.63 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.3 mt -134.73 144.94 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -136.41 103.34 5.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.72 155.22 59.91 Favored Pre-proline 0 N--CA 1.454 -0.269 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.114 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.74 152.04 58.27 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.716 2.277 . . . . 0.0 109.71 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.92 -4.26 6.63 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.291 -0.255 . . . . 0.0 110.538 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.7 -9.05 40.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.338 1.055 . . . . 0.0 110.976 171.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.93 160.63 29.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 123.693 0.797 . . . . 0.0 109.454 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.83 156.6 17.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.277 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.34 136.82 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -155.24 166.59 33.09 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.54 0.686 . . . . 0.0 111.597 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -70.68 150.73 45.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -62.15 -23.88 66.84 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.51 -0.744 . . . . 0.0 112.323 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -86.18 -0.83 56.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.966 -0.459 . . . . 0.0 111.679 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 mm -117.5 -34.65 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 124.447 1.099 . . . . 0.0 110.09 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -56.31 -38.82 71.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.041 0.382 . . . . 0.0 110.687 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.41 -20.98 66.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 122.469 -0.144 . . . . 0.0 110.979 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -84.29 -37.1 22.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.394 0.278 . . . . 0.0 111.351 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.7 mp -64.54 -16.8 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -102.19 4.15 39.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.429 0.691 . . . . 0.0 111.555 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.79 -31.0 4.04 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLY . . . . . 0.493 ' C ' HD13 ' C' ' 55' ' ' LEU . . . 149.05 149.51 4.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' C' ' 51' ' ' ILE . 0.0 OUTLIER -162.98 167.71 22.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.383 -0.481 . . . . 0.0 112.278 -174.486 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 53.4 p -148.14 16.77 1.07 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.387 1.075 . . . . 0.0 110.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.705 ' H ' ' HD3' ' C' ' 58' ' ' PRO . . . -136.36 1.13 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -173.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.705 ' HD3' ' H ' ' C' ' 57' ' ' ALA . 74.0 Cg_exo -52.46 171.16 0.21 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.228 1.952 . . . . 0.0 113.594 172.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.393 179.491 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C5'-C4'-C3' 111.503 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.469 -3.231 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.549 -3.151 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.685 -3.015 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.865 -3.835 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 112.028 3.828 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C4'-C3'-C2' 99.477 -3.223 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.435 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 O4'-C1'-N19 111.115 2.915 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.435 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C5'-C4'-C3' 109.667 -3.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.531 ' H42' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.847 3.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.842 -2.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 P-O3'-C3' 122.002 1.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C3'-C2'-C1' 104.182 2.98 . 0.063 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 111.224 3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.556 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C5'-C4'-C3' 111.901 -2.399 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 1 C5'-C4'-C3' 108.281 -4.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 99.755 -2.945 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.45 -3.25 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.933 -2.767 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.56 -3.14 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.917 -2.783 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.918 -2.782 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.779 -0.082 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.65 110.11 11.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.91 147.75 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.76 161.09 38.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.13 139.54 53.2 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -146.64 135.6 22.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.303 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.1 tptm -81.86 149.39 28.32 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.97 138.55 16.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.846 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.63 -1.42 58.38 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.983 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -110.67 -177.12 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.394 1.097 . . . . 0.0 110.828 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 m -138.01 170.57 15.81 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -144.36 165.83 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.277 1.831 . . . . 0.0 107.106 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.18 153.6 50.4 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.014 0.825 . . . . 0.0 112.119 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -144.69 140.22 23.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.691 0.797 . . . . 0.0 109.089 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.02 -140.15 39.43 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.36 10.93 5.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 110.519 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -139.06 8.56 2.5 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.732 0.813 . . . . 0.0 111.976 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.75 146.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-N 119.112 0.869 . . . . 0.0 110.497 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -140.32 156.86 46.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.03 149.12 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -142.28 127.33 18.45 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.64 93.91 2.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.03 -30.74 70.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.698 -174.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.88 -170.82 35.4 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.979 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.64 160.51 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.976 0.51 . . . . 0.0 109.767 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -148.02 82.61 1.5 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 -115.35 4.35 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -101.81 0.21 35.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.53 158.94 28.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.887 0.375 . . . . 0.0 110.084 172.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.5 122.41 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -83.64 121.64 27.53 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -121.96 127.78 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.72 150.65 17.58 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -135.02 145.16 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -135.21 103.51 5.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.44 53.55 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.089 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.7 153.37 54.01 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.124 2.55 . . . . 0.0 110.289 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? -66.09 -2.62 4.32 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.08 -0.387 . . . . 0.0 110.633 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.84 -11.33 60.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.811 0.844 . . . . 0.0 110.627 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.31 161.27 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.8 0.84 . . . . 0.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.78 157.46 17.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 111.548 -175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.47 134.04 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.05 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -157.17 168.96 25.89 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.375 0.27 . . . . 0.0 111.427 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -70.3 161.13 30.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -66.44 -23.82 66.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.98 -7.41 59.16 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.828 0.451 . . . . 0.0 112.034 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -114.14 -33.25 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 123.648 0.779 . . . . 0.0 109.953 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -57.03 -36.92 71.02 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.207 -0.308 . . . . 0.0 110.821 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.08 -20.83 66.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.43 -0.169 . . . . 0.0 110.9 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.69 -36.78 18.52 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.51 0.324 . . . . 0.0 111.303 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.612 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.46 -18.48 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -100.84 2.36 40.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.211 0.604 . . . . 0.0 111.518 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.31 -31.52 5.59 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 122.918 0.487 . . . . 0.0 111.677 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 147.58 154.44 6.24 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 176.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -164.56 176.26 9.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.895 0.478 . . . . 0.0 110.982 -177.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 t -149.62 6.64 0.64 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.175 0.59 . . . . 0.0 110.975 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -66.34 -33.84 7.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 76.2 Cg_exo -53.07 171.25 0.25 Allowed 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.354 2.703 . . . . 0.0 114.374 175.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.547 0.739 . . . . 0.0 111.554 179.541 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 N19-C1'-C2' 109.032 -2.73 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.251 -3.449 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 99.562 -3.138 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.382 -3.318 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 98.724 -3.976 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.524 ' C5 ' ' NE2' ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 98.881 -3.819 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.998 3.798 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.431 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.637 3.437 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.431 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.449 1 C5'-C4'-C3' 108.922 -4.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.414 ' C5 ' ' HD2' ' C' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 111.779 3.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 P-O3'-C3' 122.379 2.233 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 P-O3'-C3' 121.964 1.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C3'-C2'-C1' 104.089 2.877 . 0.098 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 O4'-C1'-N19 111.227 3.027 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.554 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-C3' 111.779 -2.481 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 108.261 -4.826 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.631 -3.069 . 0.424 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.35 -3.35 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.827 -2.873 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.68 -3.02 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 99.458 -3.242 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.891 -2.809 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.83 108.46 10.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.35 146.89 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.08 159.5 42.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -121.36 146.24 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.5 mmp_? -143.69 163.49 33.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 6.5 tptm -111.03 151.82 27.58 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -56.3 114.44 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.455 0.57 . . . . 0.0 110.159 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.08 6.08 10.24 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.666 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -116.13 -179.84 3.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.198 0.999 . . . . 0.0 111.149 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.1 m -141.94 167.86 21.12 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -142.85 165.24 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 126.555 1.942 . . . . 0.0 107.077 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -137.89 153.28 49.57 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.447 -0.783 . . . . 0.0 112.202 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -142.2 142.22 27.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -140.05 36.77 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.35 12.68 5.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.472 0.709 . . . . 0.0 110.208 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -137.61 8.4 2.83 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.706 0.802 . . . . 0.0 111.93 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.13 145.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 119.296 0.953 . . . . 0.0 110.839 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.0 m -138.74 155.51 48.16 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.213 1.005 . . . . 0.0 108.408 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -135.1 147.95 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -143.64 130.98 20.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -86.37 99.93 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.43 -30.91 62.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.2 -173.92 36.08 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.599 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.6 160.72 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.97 0.385 . . . . 0.0 110.639 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.8 m -149.28 104.67 3.41 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.45 -98.82 0.42 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -123.3 -0.75 8.76 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.231 0.612 . . . . 0.0 110.558 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.524 ' NE2' ' C5 ' ' B' ' 3' ' ' ' U' . 66.9 mt-30 -73.88 155.14 39.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.37 120.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -78.8 121.03 24.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.47 128.51 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.71 149.38 17.68 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.2 mt -135.15 145.07 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.04 103.7 5.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.01 154.4 54.65 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.023 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.39 151.51 65.5 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.711 2.274 . . . . 0.0 110.226 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.2 -1.3 2.16 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.06 -0.4 . . . . 0.0 110.461 175.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.89 -10.66 59.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.202 1.001 . . . . 0.0 110.869 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.29 160.53 32.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.439 0.696 . . . . 0.0 109.602 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.71 156.24 17.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 111.282 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.53 134.27 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -158.0 173.84 16.14 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.688 0.28 . . . . 0.0 111.387 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -71.4 163.85 26.89 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -64.77 -31.01 72.05 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.217 -0.302 . . . . 0.0 110.761 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.12 -50.56 61.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.232 0.539 . . . . 0.0 110.432 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.75 -33.5 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.664 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -57.19 -42.54 81.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.69 -20.94 66.48 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.253 -0.28 . . . . 0.0 110.577 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ARG . . . . . 0.414 ' HD2' ' C5 ' ' B' ' 7' ' ' ' C' . 41.3 ttm180 -83.07 -37.89 23.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.41 -177.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.12 -18.75 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -99.46 3.95 45.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.155 0.582 . . . . 0.0 111.468 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.95 -15.62 4.79 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLY . . . . . 0.419 ' C ' HD22 ' C' ' 55' ' ' LEU . . . 159.22 149.82 5.63 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 109.966 -1.253 . . . . 0.0 109.966 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.419 HD22 ' C ' ' C' ' 54' ' ' GLY . 2.8 mm? -128.75 152.25 48.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.602 0.701 . . . . 0.0 110.977 -172.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.7 p -144.46 -5.84 0.73 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.03 0.932 . . . . 0.0 110.287 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.53 62.62 2.96 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 124.239 1.016 . . . . 0.0 109.654 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.27 164.48 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.055 3.17 . . . . 0.0 114.536 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.619 -179.416 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 98.911 -3.789 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.166 -3.534 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.421 -3.279 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.04 -3.66 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C4'-C3'-C2' 99.224 -3.476 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 110.99 2.79 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 1 C5'-C4'-C3' 108.415 -4.723 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.875 0 C4'-C3'-C2' 99.166 -3.534 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 O4'-C1'-N19 110.515 2.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 O5'-C5'-C4' 112.827 1.877 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C3'-C2'-C1' 104.309 3.121 . 0.171 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 110.737 2.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.568 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 O4'-C1'-C2' 103.442 -2.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 1 C5'-C4'-C3' 107.923 -5.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.886 -2.814 . 0.104 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.273 -3.427 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 100.179 -2.521 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C4'-C3'-C2' 99.57 -3.13 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 99.429 -3.271 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 100.233 -2.467 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 108.26 10.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.43 145.14 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.31 0.644 . . . . 0.0 109.355 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.65 134.82 25.72 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -95.92 144.67 26.04 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.487 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -142.98 163.77 31.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 6.3 tptm -112.75 154.3 26.39 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -54.97 113.92 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 118.512 0.596 . . . . 0.0 110.604 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.23 -17.62 9.04 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 123.915 0.769 . . . . 0.0 112.608 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -81.25 -178.62 7.0 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.086 0.943 . . . . 0.0 111.638 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -142.99 168.54 19.46 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -143.94 165.95 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.067 1.747 . . . . 0.0 107.411 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -137.43 153.58 50.1 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.453 -0.78 . . . . 0.0 112.146 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.03 144.09 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -140.72 39.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.72 10.7 5.61 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.439 0.696 . . . . 0.0 109.657 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -140.8 8.95 2.15 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.442 0.697 . . . . 0.0 111.749 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 145.95 34.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.033 0.833 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -137.34 155.21 49.68 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -134.27 148.93 29.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.4 m -141.69 150.16 41.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -113.17 93.42 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.62 -29.99 71.01 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.191 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.38 -169.16 34.32 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 118.432 0.56 . . . . 0.0 113.128 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.46 163.12 37.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 109.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 p -152.94 93.94 1.8 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.8 -122.16 8.17 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.84 2.01 43.51 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -78.78 160.12 27.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.056 0.455 . . . . 0.0 109.998 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -142.22 120.3 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -80.42 121.73 26.09 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -121.03 146.2 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.6 152.19 16.87 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -137.07 145.41 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -135.16 104.95 6.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.75 154.92 48.35 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.136 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.51 151.7 53.4 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.038 2.492 . . . . 0.0 110.334 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -63.57 -4.46 2.92 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.12 -0.362 . . . . 0.0 110.669 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.81 -11.93 57.07 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.229 1.011 . . . . 0.0 110.928 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.16 160.24 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.613 0.765 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.48 154.58 18.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.321 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -153.62 128.74 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.059 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -156.61 163.52 39.24 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.26 159.79 23.0 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -66.0 -24.19 66.72 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.365 -0.209 . . . . 0.0 110.467 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.78 -5.96 59.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.815 0.446 . . . . 0.0 112.063 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -113.87 -35.48 2.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.099 0 C-N-CA 123.658 0.783 . . . . 0.0 110.249 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.28 -37.64 67.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.064 0.393 . . . . 0.0 111.282 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -65.49 -21.15 66.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.405 -0.184 . . . . 0.0 111.163 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -87.53 -31.76 19.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.975 0.51 . . . . 0.0 111.625 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 2.3 mp -64.04 -18.51 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -104.81 4.84 32.63 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.99 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.43 -9.84 13.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -173.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.79 -2.94 3.1 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.225 0.92 . . . . 0.0 113.442 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 51' ' ' ILE . 2.2 mm? 61.16 167.79 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 113.42 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 57' ' ' ALA . 13.5 t -153.92 -3.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.022 1.329 . . . . 0.0 108.622 172.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' H ' ' H ' ' A' ' 56' ' ' THR . . . -153.68 122.5 3.14 Favored Pre-proline 0 N--CA 1.449 -0.489 0 C-N-CA 125.176 1.39 . . . . 0.0 108.194 177.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.23 176.09 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 124.574 3.516 . . . . 0.0 114.21 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 112.423 178.895 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 111.473 -2.684 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.236 -3.464 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.323 -3.377 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.378 -3.322 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.219 -3.481 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.243 -3.457 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.464 ' N4 ' HE22 ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.74 -2.96 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.42 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C3'-C2'-C1' 104.31 3.123 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.42 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 C5'-C4'-C3' 109.409 -4.061 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.408 ' C5 ' ' HD2' ' C' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 O4'-C1'-N19 112.061 3.861 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 100.603 -2.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 P-O3'-C3' 122.286 2.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C3'-C2'-C1' 104.211 3.013 . 0.168 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 110.609 2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.557 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.36 0 C5'-C4'-C3' 111.381 -2.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 C5'-C4'-C3' 108.042 -4.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.521 -3.179 . 0.484 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.127 -3.573 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 100.102 -2.598 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 99.842 -2.858 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.488 -3.212 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.714 -2.986 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 108.36 10.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 173.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.26 144.58 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.123 0.569 . . . . 0.0 109.48 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.06 134.35 26.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 172.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -95.78 149.17 21.8 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.14 164.56 38.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.145 174.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -106.58 151.55 24.88 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -55.64 122.48 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.35 -2.68 20.47 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 119.327 -0.707 . . . . 0.0 113.148 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -107.49 -179.97 4.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.672 1.236 . . . . 0.0 112.402 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -138.81 168.1 20.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -144.06 165.26 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.581 1.952 . . . . 0.0 107.653 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -133.01 153.3 51.61 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 121.288 0.566 . . . . 0.0 112.209 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -143.49 143.04 24.83 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.14 -140.7 35.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.38 12.39 5.48 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.807 0.843 . . . . 0.0 110.026 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -138.82 8.23 2.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.525 0.73 . . . . 0.0 111.903 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.93 146.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 118.921 0.782 . . . . 0.0 110.667 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.6 m -139.97 155.73 46.98 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.197 0.999 . . . . 0.0 108.441 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -133.36 149.2 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.091 0.956 . . . . 0.0 108.434 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.02 151.95 42.93 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 tp -112.64 88.96 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.59 -29.54 70.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.573 -174.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.87 -167.75 34.31 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.732 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.17 164.7 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 123.032 0.533 . . . . 0.0 109.953 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -146.54 78.68 1.51 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -114.58 4.2 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.406 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.8 mp0 -98.17 -1.32 42.43 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.464 HE22 ' N4 ' ' B' ' 4' ' ' ' C' . 42.2 mt-30 -75.29 160.42 30.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.045 0.45 . . . . 0.0 110.342 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -143.4 115.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -80.89 113.12 18.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.5 145.24 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.07 150.8 17.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.82 145.56 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -135.69 105.23 6.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.69 155.59 52.55 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 123.656 0.783 . . . . 0.0 109.532 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.14 152.74 62.39 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.858 2.372 . . . . 0.0 110.218 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.48 -3.01 3.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.319 0.248 . . . . 0.0 110.591 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.09 -10.66 55.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.52 0.728 . . . . 0.0 111.092 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.87 160.44 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 124.088 0.955 . . . . 0.0 109.858 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.88 156.01 17.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.611 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -152.93 132.7 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -157.06 169.13 25.5 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.674 0.389 . . . . 0.0 110.952 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -69.58 165.23 21.54 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -64.81 -24.05 67.43 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.703 0.229 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -74.09 -50.77 18.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.706 0.765 . . . . 0.0 110.228 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -72.33 -32.93 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.926 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.88 -43.53 77.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.925 0.33 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.88 -20.49 65.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.877 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ARG . . . . . 0.408 ' HD2' ' C5 ' ' B' ' 7' ' ' ' C' . 41.4 ttm180 -81.37 -38.73 26.16 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.47 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.43 -18.85 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -98.73 3.68 47.65 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.182 0.593 . . . . 0.0 111.271 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.75 -13.79 5.23 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.39 152.11 6.01 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.05 156.13 42.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.39 -0.477 . . . . 0.0 110.311 -172.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.5 p -142.66 1.18 1.31 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.862 0.865 . . . . 0.0 110.388 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.435 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -152.6 59.58 2.99 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.73 0.812 . . . . 0.0 110.508 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 77.7 Cg_exo -51.75 168.57 0.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.935 3.09 . . . . 0.0 113.913 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 CA--C 1.532 0.273 0 C-N-CA 123.493 0.717 . . . . 0.0 112.284 -178.917 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.838 -2.862 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.27 -3.43 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.406 -3.294 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.384 -3.316 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.835 -3.865 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 98.753 -3.947 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.282 -3.418 . 0.322 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.417 ' N3 ' " H3'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 111.739 3.539 . 0.143 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.702 -2.998 . 0.208 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.41 ' C2 ' HD11 ' A' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 110.439 2.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 121.848 1.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C3'-C2'-C1' 104.479 3.309 . 0.275 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.506 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 111.711 -2.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 1 C5'-C4'-C3' 108.377 -4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C4'-C3'-C2' 99.877 -2.823 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.366 -3.334 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.844 -2.856 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.601 -3.099 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.696 -3.004 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 100.029 -2.671 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 tpp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 109.99 13.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.08 143.47 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.436 0.694 . . . . 0.0 109.3 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.62 134.86 27.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.1 p -93.45 146.42 23.77 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -145.46 137.54 25.57 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.303 0.641 . . . . 0.0 109.687 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 4.2 tptm -82.4 155.54 24.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 172.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.66 124.08 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 118.671 0.668 . . . . 0.0 109.932 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.37 -16.44 22.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.578 0.609 . . . . 0.0 112.437 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -83.15 -178.11 6.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.71 0.755 . . . . 0.0 111.167 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -142.21 166.81 23.68 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.95 165.42 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.505 1.922 . . . . 0.0 107.625 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.19 153.61 47.92 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.597 -0.69 . . . . 0.0 112.076 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -143.27 144.95 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.991 0.916 . . . . 0.0 108.545 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -140.35 37.36 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.07 10.76 5.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.362 0.665 . . . . 0.0 109.604 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -139.24 8.55 2.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.54 0.736 . . . . 0.0 111.752 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.43 145.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.935 0.788 . . . . 0.0 110.314 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -137.17 154.73 50.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -136.47 149.07 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -140.05 151.15 45.18 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.06 92.72 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.02 -31.73 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.178 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 -168.68 34.32 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.807 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.81 163.03 37.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.088 0.555 . . . . 0.0 109.85 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -148.73 80.77 1.44 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.56 -116.09 4.58 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -171.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.41 -0.82 40.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -76.6 159.46 30.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -142.66 118.68 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 34.2 mtm180 -81.38 117.58 21.96 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.39 142.61 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.82 150.85 17.01 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -135.93 145.24 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -136.16 104.19 5.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.04 155.61 58.64 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.336 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.31 151.75 66.12 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.087 2.525 . . . . 0.0 110.419 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.53 -2.14 3.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 122.274 -0.266 . . . . 0.0 110.642 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.19 -10.87 57.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.849 0.86 . . . . 0.0 110.698 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.87 160.79 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.934 0.893 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 157.01 17.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.49 0.186 . . . . 0.0 111.308 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 134.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -158.25 162.08 37.8 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.934 0.494 . . . . 0.0 110.37 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -74.94 159.01 32.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.23 -24.23 66.2 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 10.6 pt-20 -85.01 -4.26 59.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.938 -0.477 . . . . 0.0 112.027 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.99 -35.49 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.655 0.782 . . . . 0.0 109.64 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.98 -38.21 70.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.891 0.314 . . . . 0.0 111.148 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -65.22 -21.26 66.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.39 -0.193 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -83.6 -36.43 23.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.935 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp -64.34 -19.74 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -102.95 2.68 35.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.12 -0.363 . . . . 0.0 111.129 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.28 -18.96 58.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.731 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.57 37.08 0.08 OUTLIER Glycine 0 C--N 1.34 0.803 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.471 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.458 HD13 ' H ' ' A' ' 57' ' ' ALA . 3.5 pp -160.05 -173.88 4.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.186 0.993 . . . . 0.0 113.449 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.2 p -139.77 40.75 2.0 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.347 1.459 . . . . 0.0 109.953 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.458 ' H ' HD13 ' A' ' 55' ' ' LEU . . . 61.21 82.6 0.22 Allowed Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.517 -174.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.75 167.79 0.18 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 124.888 3.725 . . . . 0.0 114.351 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 C--O 1.232 0.182 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.089 -178.38 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.421 -3.279 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.572 -3.128 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.6 -3.1 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.689 -3.011 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 98.988 -3.712 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.196 -3.504 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.187 -3.513 . 0.42 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.4 ' N3 ' " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 111.981 3.781 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.466 -3.234 . 0.177 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.402 ' C2 ' HD11 ' C' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C5'-C4'-C3' 110.107 -3.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C3'-C2'-C1' 103.649 2.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 P-O3'-C3' 121.819 1.766 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C3'-C2'-C1' 104.086 2.874 . 0.119 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 O4'-C1'-N19 111.23 3.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.559 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C5'-C4'-C3' 111.936 -2.376 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 1 C5'-C4'-C3' 108.004 -4.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C4'-C3'-C2' 99.767 -2.933 . 0.168 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.344 -3.356 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.962 -2.738 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.884 -2.816 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.623 -3.077 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.865 -2.835 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 119.658 -0.21 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.66 109.31 11.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.74 145.12 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -143.35 134.88 26.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -94.72 148.09 22.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -145.54 164.32 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -111.55 152.67 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.4 114.92 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.531 0.605 . . . . 0.0 110.006 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.88 6.27 11.34 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.684 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -114.71 -176.4 2.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.119 0.96 . . . . 0.0 111.117 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.3 m -145.83 167.79 22.36 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.87 163.09 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.768 1.627 . . . . 0.0 107.363 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -134.67 153.39 52.01 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.376 0.67 . . . . 0.0 111.801 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.77 138.77 28.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.07 -139.61 40.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.1 10.88 5.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.242 0.617 . . . . 0.0 110.617 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -137.13 7.89 2.92 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.374 0.67 . . . . 0.0 112.038 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.81 144.38 37.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 CA-C-N 119.077 0.853 . . . . 0.0 110.721 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -139.81 156.46 46.73 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -135.03 149.09 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -142.04 128.08 19.61 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.74 92.67 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.75 -32.87 74.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.997 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -167.48 34.07 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.608 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.4 162.61 39.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -148.68 83.68 1.47 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.9 -116.17 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 -172.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.9 mp0 -101.61 0.99 37.28 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -79.31 160.58 26.72 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.28 120.06 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -81.43 119.03 23.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.78 129.01 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.15 150.11 17.67 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.07 144.86 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -136.2 104.03 5.51 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.6 155.17 56.82 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.855 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.93 150.72 67.56 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.871 2.381 . . . . 0.0 109.867 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -66.67 -1.12 3.4 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 122.316 -0.24 . . . . 0.0 110.414 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.57 -11.73 60.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.423 1.089 . . . . 0.0 110.909 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.34 160.69 31.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.86 0.864 . . . . 0.0 109.698 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.94 157.11 16.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.01 135.05 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -156.97 169.78 24.02 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.911 0.386 . . . . 0.0 111.458 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -71.47 160.26 33.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -68.41 -23.47 64.64 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.58 -6.34 59.42 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.66 0.384 . . . . 0.0 111.668 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.06 -36.05 2.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 123.717 0.807 . . . . 0.0 110.617 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.16 -37.62 69.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 122.479 -0.138 . . . . 0.0 111.109 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -65.39 -20.61 66.45 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.229 0.211 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -85.76 -35.86 20.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.421 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.7 mp -65.38 -20.67 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -99.9 2.2 43.51 Favored 'General case' 0 C--O 1.23 0.051 0 O-C-N 122.227 -0.296 . . . . 0.0 111.07 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.96 -13.2 60.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.566 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.69 34.0 0.2 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-O 119.452 -0.638 . . . . 0.0 113.634 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.482 ' C ' HD12 ' C' ' 55' ' ' LEU . 3.5 pp -164.52 -165.66 0.98 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.384 1.092 . . . . 0.0 113.658 -168.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -140.91 173.59 11.34 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.671 1.588 . . . . 0.0 107.716 171.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' C' ' 58' ' ' PRO . . . -49.39 127.4 17.04 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 118.496 0.589 . . . . 0.0 111.284 -175.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' C' ' 57' ' ' ALA . 71.4 Cg_exo -51.4 171.94 0.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 125.004 3.802 . . . . 0.0 114.59 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 123.763 0.825 . . . . 0.0 111.403 178.74 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.752 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.306 -3.394 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.539 -3.161 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.644 -3.056 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 98.915 -3.785 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.056 -3.644 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 111.863 3.663 OUTLIER-EPSILON 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 2 O4'-C1'-N19 112.338 4.138 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.134 -3.566 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 C5'-C4'-C3' 109.42 -4.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.72 2.52 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 P-O3'-C3' 121.825 1.771 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C3'-C2'-C1' 104.062 2.847 . 0.235 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 110.771 2.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.533 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C5'-C4'-C3' 112.097 -2.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 C5'-C4'-C3' 108.331 -4.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.78 -2.92 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 C4'-C3'-C2' 99.231 -3.469 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 100.005 -2.695 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.96 -2.74 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.543 -3.157 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.783 2.583 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.62 110.79 12.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 176.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.73 145.74 7.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.338 0.655 . . . . 0.0 109.536 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.9 mt -141.4 158.99 43.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.04 143.61 48.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.0 mmp_? -145.65 135.02 23.05 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.262 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.9 153.84 30.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 171.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.7 129.73 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.245 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.21 -16.75 29.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.578 0.608 . . . . 0.0 112.46 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -84.59 -179.77 7.21 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.036 0.918 . . . . 0.0 111.334 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -140.66 167.41 22.24 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.9 mm -142.54 165.49 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.314 1.846 . . . . 0.0 107.597 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -138.98 153.33 48.16 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.627 -0.67 . . . . 0.0 112.286 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -143.5 145.37 22.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -140.29 42.92 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.23 10.76 5.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.642 0.777 . . . . 0.0 109.459 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -142.53 9.64 1.81 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.214 0.606 . . . . 0.0 111.864 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.07 145.72 35.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 118.904 0.775 . . . . 0.0 110.75 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -138.51 154.82 48.8 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.478 1.111 . . . . 0.0 108.259 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -135.68 148.23 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.6 m -143.03 124.38 14.67 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -77.7 96.24 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.87 -30.98 68.57 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.982 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.61 -174.01 35.67 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.074 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.39 160.71 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.758 0.279 . . . . 0.0 110.918 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.13 105.97 3.43 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -97.07 0.33 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 7.5 mm-40 -126.51 -0.54 6.87 Favored 'General case' 0 CA--C 1.524 -0.057 0 C-N-CA 123.414 0.685 . . . . 0.0 110.163 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.528 ' NE2' ' C5 ' ' D' ' 3' ' ' ' U' . 73.2 mt-30 -74.29 153.94 39.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.51 117.44 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.75 120.2 21.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -122.05 120.14 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.97 148.79 19.19 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.33 144.16 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.23 103.46 5.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.63 155.38 56.64 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.062 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.14 151.91 55.78 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.031 2.487 . . . . 0.0 110.079 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.19 -3.6 2.91 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.363 0.265 . . . . 0.0 110.493 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.04 -11.2 58.54 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.096 0.958 . . . . 0.0 110.905 173.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.45 160.8 31.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.578 0.751 . . . . 0.0 109.55 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.4 157.32 16.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.649 0.261 . . . . 0.0 111.475 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.34 133.93 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -157.59 168.47 27.17 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.626 0.37 . . . . 0.0 111.531 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -70.87 159.37 34.75 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -64.99 -23.68 67.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.616 -0.677 . . . . 0.0 111.001 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -87.11 0.08 55.83 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.853 0.461 . . . . 0.0 112.018 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.8 mm -119.03 -33.85 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 123.622 0.769 . . . . 0.0 109.801 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -56.43 -40.62 75.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.157 -0.339 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.23 -20.65 65.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 122.302 -0.249 . . . . 0.0 111.241 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -86.82 -35.46 19.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.465 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.9 -18.57 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 118.634 0.652 . . . . 0.0 109.489 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -98.92 3.98 47.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.304 0.642 . . . . 0.0 111.319 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.48 -12.1 5.6 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.07 152.02 5.68 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.31 156.55 38.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.243 0.521 . . . . 0.0 110.272 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.3 p -142.05 -0.28 1.32 Allowed 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.751 0.82 . . . . 0.0 110.384 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -153.23 59.14 2.62 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 110.493 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 64.4 Cg_exo -52.94 172.14 0.2 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.487 2.791 . . . . 0.0 113.587 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.884 179.785 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.903 -2.797 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.556 -3.144 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.542 -3.158 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 O4'-C1'-N19 111.478 3.278 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 C4'-C3'-C2' 99.009 -3.691 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.764 3.564 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 111.167 2.967 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.491 H5'' ' C4 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.357 -3.429 OUTLIER-DELTA 0.074 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.442 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.319 1 C5'-C4'-C3' 109.432 -4.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 111.96 3.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 110.484 2.284 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O5'-C5'-C4' 112.803 1.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C3'-C2'-C1' 104.251 3.057 . 0.135 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 110.96 2.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.57 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C5'-C4'-C3' 112.385 -2.076 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 C5'-C4'-C3' 108.118 -4.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 100.103 -2.597 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.442 -3.258 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 100.122 -2.578 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.595 -3.105 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.627 -3.073 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C4'-C3'-C2' 99.911 -2.789 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.57 106.47 10.16 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -83.47 147.16 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -141.11 157.66 44.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -118.49 145.13 45.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -149.96 137.94 20.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.406 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.418 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.8 tptm -82.64 149.42 27.4 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -56.23 139.48 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.686 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 0.48 60.13 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -114.47 -176.52 2.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.401 1.101 . . . . 0.0 110.47 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -139.65 169.33 17.92 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -169.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -144.4 165.41 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.441 1.897 . . . . 0.0 107.483 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.27 153.78 50.26 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.492 0.587 . . . . 0.0 112.448 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.09 145.66 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.226 1.01 . . . . 0.0 108.519 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 -142.06 38.19 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.04 10.53 5.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.7 0.8 . . . . 0.0 109.6 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.39 8.97 2.03 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.79 0.836 . . . . 0.0 111.854 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.59 146.92 33.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 119.155 0.889 . . . . 0.0 111.067 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -138.08 155.1 49.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.303 1.041 . . . . 0.0 108.352 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.54 146.67 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.6 m -140.85 122.42 15.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.58 90.01 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.5 -30.84 71.66 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.436 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.24 -172.46 35.93 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.337 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.91 160.65 38.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -150.12 105.6 3.39 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -96.63 0.35 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -126.06 0.29 7.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.238 0.615 . . . . 0.0 110.641 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.74 160.09 32.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.25 119.68 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -80.86 119.38 23.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.41 120.07 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.39 149.51 19.36 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.33 144.83 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -135.27 104.24 5.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.19 154.4 53.98 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.022 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.93 151.83 62.74 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.293 2.662 . . . . 0.0 110.321 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.31 -2.71 3.3 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 122.21 -0.306 . . . . 0.0 110.636 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.42 -11.72 58.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.316 1.047 . . . . 0.0 110.684 173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.17 160.79 32.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 123.766 0.826 . . . . 0.0 109.862 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.18 16.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 134.59 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -157.21 171.1 21.04 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.28 0.232 . . . . 0.0 111.175 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -72.53 158.72 35.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.67 -23.32 67.22 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.037 0.381 . . . . 0.0 110.63 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.63 -3.73 58.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.24 0.616 . . . . 0.0 112.399 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -117.79 -34.59 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 123.907 0.883 . . . . 0.0 110.031 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.23 -37.84 70.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.014 -0.429 . . . . 0.0 110.885 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -64.97 -21.39 66.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.451 -0.155 . . . . 0.0 110.973 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -85.38 -32.22 22.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.436 0.294 . . . . 0.0 111.453 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.426 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp -64.88 -18.52 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -105.37 2.79 29.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.575 0.75 . . . . 0.0 112.396 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.55 -11.36 13.6 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.73 -0.74 2.48 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.055 0.843 . . . . 0.0 113.237 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.0 mm? 63.12 163.57 0.11 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.337 1.455 . . . . 0.0 112.866 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -148.34 6.06 0.74 Allowed 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.9 1.28 . . . . 0.0 109.884 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.422 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -147.56 62.42 7.01 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.178 0.991 . . . . 0.0 110.391 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 70.3 Cg_exo -53.71 -171.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 124.655 3.57 . . . . 0.0 115.457 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.593 -175.147 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C5'-C4'-C3' 111.409 -2.727 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.4 -3.3 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.5 -3.2 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.76 -2.94 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 98.943 -3.757 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . 0.528 ' C5 ' ' NE2' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 99.039 -3.661 . 0.618 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 111.935 3.735 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.47 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.874 3.674 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.47 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 C5'-C4'-C3' 108.112 -4.925 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.751 3.551 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C5'-C4'-C3' 111.271 -2.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O5'-C5'-C4' 113.024 2.017 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 0 C3'-C2'-C1' 104.306 3.117 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.479 3.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.528 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C5'-C4'-C3' 111.866 -2.423 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C5'-C4'-C3' 108.655 -4.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C4'-C3'-C2' 99.653 -3.047 . 0.271 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.255 -3.445 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.974 -2.726 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.614 -3.086 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 99.668 -3.032 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.915 -2.785 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.742 -0.096 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 112.0 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.31 143.85 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.82 134.41 28.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -90.3 148.29 22.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -150.71 138.6 19.96 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.265 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.4 tptm -86.55 150.26 24.37 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.7 m -57.55 134.15 22.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.531 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.96 55.02 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.371 -0.683 . . . . 0.0 112.953 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -114.81 -176.14 2.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.356 1.078 . . . . 0.0 110.856 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -139.61 169.52 17.59 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -144.75 165.62 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.149 1.779 . . . . 0.0 107.413 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.04 153.9 49.32 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.797 0.726 . . . . 0.0 112.539 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.34 143.32 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -141.71 32.2 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.18 13.14 5.64 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.441 0.696 . . . . 0.0 109.981 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -138.27 6.65 2.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.625 0.77 . . . . 0.0 111.86 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.87 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 CA-C-N 118.82 0.736 . . . . 0.0 110.417 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -138.55 154.99 48.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -134.99 148.99 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -140.11 150.04 43.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.23 90.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -65.57 -34.29 77.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.337 -173.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.21 -173.57 37.66 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.088 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.46 161.55 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 C-N-CA 122.773 0.429 . . . . 0.0 110.693 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -150.55 106.99 3.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.36 -102.91 0.79 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.464 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 4.8 mm-40 -120.34 0.43 10.58 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.078 0.551 . . . . 0.0 110.511 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.554 ' NE2' ' C5 ' ' D' ' 3' ' ' ' U' . 74.5 mt-30 -73.83 154.49 39.47 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.49 119.56 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' NE ' ' H62' ' D' ' 12' ' ' ' A' . 47.9 mtt85 -80.95 120.63 25.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 169.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 mt -120.37 140.68 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.17 18.01 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -137.17 145.23 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.27 104.57 5.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.07 155.68 55.0 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 123.767 0.827 . . . . 0.0 109.599 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.45 151.22 65.02 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.063 2.508 . . . . 0.0 110.317 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.84 -1.86 2.22 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.83 -10.88 59.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.006 0.923 . . . . 0.0 110.911 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.44 160.4 31.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.632 0.773 . . . . 0.0 109.513 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.62 156.76 16.9 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -153.79 134.39 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -157.42 164.89 37.01 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpt85 -66.69 152.11 46.06 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.95 -23.55 65.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.333 0.515 . . . . 0.0 112.244 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.5 -11.55 55.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.421 0.555 . . . . 0.0 111.849 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 mm -104.19 -35.14 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.814 0.845 . . . . 0.0 109.848 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -57.16 -40.78 77.96 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.555 -0.716 . . . . 0.0 110.861 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.72 -20.55 65.82 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.335 -0.228 . . . . 0.0 110.963 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 39.9 ttm180 -84.0 -37.92 21.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.322 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -61.91 -18.74 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.646 0.657 . . . . 0.0 109.288 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -100.72 5.5 43.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.531 0.732 . . . . 0.0 111.061 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.38 -14.97 3.7 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' C ' HD22 ' A' ' 55' ' ' LEU . . . 157.21 150.68 5.77 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HA ' ' H42' ' D' ' 7' ' ' ' C' . 2.9 mm? -125.98 147.6 49.48 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 117.549 0.674 . . . . 0.0 111.547 -170.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -144.97 1.36 0.98 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.865 1.266 . . . . 0.0 109.905 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -150.96 58.3 2.83 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 124.152 0.981 . . . . 0.0 110.415 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 82.6 Cg_exo -47.02 -32.43 13.03 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.088 3.192 . . . . 0.0 114.401 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.454 -0.25 0 C-N-CA 122.722 0.409 . . . . 0.0 110.929 -177.569 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 111.335 -2.777 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 99.352 -3.348 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.596 -3.104 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.544 -3.156 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 98.93 -3.77 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.514 ' C5 ' ' NE2' ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 111.775 3.575 . 0.621 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 98.818 -3.882 . 0.394 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.432 ' N3 ' " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 111.935 3.735 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 98.85 -3.85 . 0.127 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 P-O3'-C3' 122.351 2.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 P-O3'-C3' 122.421 2.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C3'-C2'-C1' 104.301 3.112 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 110.628 2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.558 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 C5'-C4'-C3' 111.687 -2.542 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C5'-C4'-C3' 108.296 -4.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.861 -2.839 . 0.311 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C4'-C3'-C2' 99.218 -3.482 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.953 -2.747 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.727 -2.973 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.745 -2.955 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.854 -2.846 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.411 ' HG2' " H5'" ' D' ' 11' ' ' ' U' . 48.6 tpp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.18 109.64 11.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 144.41 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -142.74 135.08 27.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.7 p -92.47 149.77 21.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.462 HH21 ' HB ' ' C' ' 22' ' ' ILE . 21.5 ttp180 -148.68 164.18 35.11 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.48 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.9 tptm -121.63 149.07 43.72 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 m -53.33 129.48 14.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.927 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.07 2.45 36.15 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.992 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -116.89 -171.32 2.0 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.78 1.29 . . . . 0.0 112.444 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -148.85 171.2 16.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.453 HG13 ' HD3' ' C' ' 6' ' ' ARG . 41.5 mt -145.0 165.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.053 2.141 . . . . 0.0 107.08 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -130.58 153.55 48.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.691 -0.63 . . . . 0.0 111.512 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -144.01 140.65 25.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -138.04 43.63 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -130.94 10.58 5.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.48 0.712 . . . . 0.0 109.515 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.55 8.5 2.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.336 0.654 . . . . 0.0 112.141 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.62 144.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.784 0.72 . . . . 0.0 110.087 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -140.11 153.9 46.85 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -132.46 149.41 32.21 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -140.56 153.86 46.28 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 122.687 0.395 . . . . 0.0 110.064 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.462 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -111.69 92.22 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -30.11 70.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.19 -170.73 35.0 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.664 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.08 162.43 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 CA-C-O 121.054 0.454 . . . . 0.0 110.177 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -147.31 80.77 1.52 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.58 -117.43 5.2 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -171.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.02 -1.89 38.63 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 117.043 0.422 . . . . 0.0 110.017 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.514 ' NE2' ' C5 ' ' B' ' 3' ' ' ' U' . 67.5 mt-30 -80.43 155.82 26.92 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -142.93 118.66 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -78.42 117.79 19.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -117.1 138.76 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.41 149.86 18.56 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.7 mt -135.85 144.94 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -135.57 102.45 5.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.39 153.74 52.32 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.369 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.42 152.15 65.72 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.899 2.399 . . . . 0.0 110.14 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.4 -2.7 3.42 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.61 -11.72 58.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.949 0.9 . . . . 0.0 110.892 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.05 160.28 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.611 0.764 . . . . 0.0 109.327 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.73 156.74 17.16 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.32 131.68 2.74 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -157.26 164.74 37.36 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 122.792 0.437 . . . . 0.0 110.691 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -72.8 165.39 24.95 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.01 -33.41 70.69 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.12 -53.52 48.21 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 121.701 -0.624 . . . . 0.0 111.003 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.22 -31.63 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.811 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -55.31 -40.74 71.47 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.014 0.37 . . . . 0.0 111.143 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.54 -20.82 66.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.285 -0.259 . . . . 0.0 111.28 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -85.82 -33.23 21.4 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.327 0.251 . . . . 0.0 111.655 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.4 HD12 ' N ' ' C' ' 51' ' ' ILE . 2.6 mp -65.21 -18.39 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -105.16 3.98 30.82 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.509 0.724 . . . . 0.0 111.933 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.12 -10.52 13.88 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.82 -1.19 2.83 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-N 119.16 0.891 . . . . 0.0 113.176 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 161.9 0.1 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.381 1.473 . . . . 0.0 112.685 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -148.86 2.86 0.61 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.494 1.117 . . . . 0.0 110.028 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.466 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -148.12 51.18 0.99 Allowed Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 123.562 0.745 . . . . 0.0 111.589 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 89.1 Cg_exo -47.15 -35.45 19.67 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.404 2.736 . . . . 0.0 114.546 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 CA--C 1.53 0.207 0 C-N-CA 122.576 0.35 . . . . 0.0 111.155 -175.42 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 N19-C1'-C2' 109.021 -2.737 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.597 -3.103 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.672 -3.028 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.379 -3.321 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 98.885 -3.815 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . 0.554 ' C5 ' ' NE2' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 98.877 -3.823 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.085 -3.615 . 0.321 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.43 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C3'-C2'-C1' 104.188 2.987 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.43 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 107.355 -5.43 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.471 ' H42' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C5'-C4'-C3' 109.422 -4.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 110.576 2.376 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 P-O3'-C3' 122.005 1.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.456 3.284 . 0.181 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . 0.411 " H5'" ' HG2' ' C' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-C3' 111.089 -2.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.423 ' H62' ' NE ' ' A' ' 31' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 N19-C1'-C2' 109.821 -2.237 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 C5'-C4'-C3' 108.317 -4.789 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.988 -2.712 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.529 -3.171 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.862 -2.838 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.728 -2.972 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.731 -2.969 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 100.066 -2.634 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.31 110.27 12.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.54 147.1 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -140.96 155.18 46.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.95 141.52 48.59 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.403 ' HE ' ' C ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -150.45 165.05 34.35 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.585 178.811 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.9 tptm -108.93 150.84 27.12 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 m -54.54 126.62 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 118.064 0.393 . . . . 0.0 110.347 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.39 -6.98 24.74 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.074 -0.848 . . . . 0.0 113.274 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' HE ' ' A' ' 6' ' ' ARG . 77.4 mm-40 -101.89 -179.06 3.89 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.755 1.278 . . . . 0.0 112.522 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -138.5 166.64 23.77 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mt -143.3 165.64 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.422 1.889 . . . . 0.0 107.884 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -134.63 153.47 51.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.394 0.678 . . . . 0.0 112.156 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -143.15 143.17 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.51 -138.94 42.97 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.18 10.62 5.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.095 0.558 . . . . 0.0 109.799 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.63 8.95 2.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.334 0.654 . . . . 0.0 111.9 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.58 145.75 35.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 119.108 0.867 . . . . 0.0 110.53 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.4 m -138.17 155.48 48.66 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -134.2 149.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.4 m -139.74 153.27 47.15 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.756 0.423 . . . . 0.0 110.157 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -112.97 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.83 -30.35 71.45 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.931 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.41 -170.43 34.53 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.693 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -132.93 161.58 41.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -150.07 98.15 2.66 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.67 -113.91 6.03 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.2 mp0 -106.0 0.03 25.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.12 0.46 . . . . 0.0 110.329 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -78.05 160.5 28.08 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 109.635 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.1 t -141.95 117.37 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -79.18 108.92 13.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -105.17 146.02 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.68 148.85 16.83 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.8 mt -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -136.78 101.91 4.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 155.73 60.35 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.326 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.13 153.0 51.52 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.176 2.584 . . . . 0.0 110.067 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 4.2 mmmp? -65.96 -4.23 6.67 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.32 -0.237 . . . . 0.0 110.863 176.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.94 -9.2 43.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.067 0.947 . . . . 0.0 110.982 171.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -138.67 160.62 30.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 123.564 0.746 . . . . 0.0 109.901 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.32 156.73 17.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.002 0.43 . . . . 0.0 111.793 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.03 135.61 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -157.61 169.22 25.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.823 0.449 . . . . 0.0 111.256 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm-85 -70.92 163.7 26.92 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -65.43 -23.83 67.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.995 -0.441 . . . . 0.0 111.296 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.2 -48.66 41.42 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 121.318 0.58 . . . . 0.0 109.991 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.2 mm -76.27 -33.67 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.008 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -56.2 -41.34 75.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.483 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 122.361 -0.212 . . . . 0.0 111.056 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.41 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 61.5 ttm-85 -80.57 -38.86 28.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.222 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.614 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.9 mp -64.45 -18.26 22.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -101.08 3.06 40.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.533 0.733 . . . . 0.0 111.883 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.33 -32.17 4.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.725 0.41 . . . . 0.0 111.94 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 147.87 153.49 5.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -159.66 177.22 11.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.681 -176.16 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 p -136.53 17.41 3.12 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.351 1.06 . . . . 0.0 110.008 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -142.17 58.28 7.63 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 123.9 0.88 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 68.3 Cg_exo -52.35 167.38 0.55 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.444 2.762 . . . . 0.0 114.127 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.029 179.03 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 111.367 -2.756 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.594 -3.106 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.426 -3.274 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.437 -3.263 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 98.746 -3.954 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.539 ' C5 ' ' NE2' ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 98.843 -3.857 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.848 3.648 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.429 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.164 2.964 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.429 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C5'-C4'-C3' 109.579 -3.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.479 ' H42' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 100.478 -2.222 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O5'-C5'-C4' 112.987 1.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C3'-C2'-C1' 104.288 3.098 . 0.095 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 111.225 3.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.564 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C5'-C4'-C3' 111.522 -2.652 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 C5'-C4'-C3' 108.44 -4.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.755 -2.945 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.318 -3.382 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 100.041 -2.659 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 C4'-C3'-C2' 99.66 -3.04 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 C4'-C3'-C2' 99.421 -3.279 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 100.029 -2.671 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.842 -0.059 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 105.08 8.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 173.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -78.96 145.2 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.33 134.27 25.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.0 p -94.55 143.32 26.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -147.45 135.48 21.34 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.24 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 3.8 tptm -83.75 149.04 26.7 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -56.49 132.08 20.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.28 0.85 44.24 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.69 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -115.51 -175.75 2.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.545 1.172 . . . . 0.0 111.039 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -141.25 169.3 17.86 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.38 165.93 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 126.514 1.926 . . . . 0.0 107.41 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -138.59 154.23 48.7 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.403 -0.811 . . . . 0.0 112.906 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -141.31 143.04 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.29 -141.03 31.3 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -130.03 11.22 5.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.553 0.741 . . . . 0.0 110.221 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -136.78 8.28 3.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.594 0.757 . . . . 0.0 111.733 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 146.59 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 CA-C-N 118.951 0.796 . . . . 0.0 110.865 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.22 154.96 49.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.51 148.93 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.8 m -141.23 149.29 41.18 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -111.15 91.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.52 -32.46 73.82 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.229 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.97 -171.73 36.35 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.739 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.34 162.14 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -146.78 81.81 1.56 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.09 -115.09 4.37 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -171.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -100.9 -2.39 32.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.539 ' NE2' ' C5 ' ' B' ' 3' ' ' ' U' . 69.0 mt-30 -78.08 154.62 31.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.37 123.4 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.497 ' HD3' ' H62' ' B' ' 12' ' ' ' A' . 30.3 mtm180 -85.24 120.81 27.14 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 170.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -121.91 140.88 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.71 150.16 18.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 1' ' ' MET . 73.7 mt -136.6 145.12 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -136.72 105.39 5.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.52 155.36 60.55 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.88 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.52 150.08 74.95 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.533 2.155 . . . . 0.0 109.79 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -65.53 -1.83 2.91 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.325 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.31 -12.09 60.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.176 0.991 . . . . 0.0 110.961 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.58 160.65 34.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.564 0.746 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.08 157.1 16.58 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 111.622 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.5 129.32 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -157.21 163.14 39.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 122.745 0.418 . . . . 0.0 110.338 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -73.38 163.06 28.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 172.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.47 -38.98 78.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.53 -11.3 60.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -102.66 -32.87 3.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -55.46 -42.83 74.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.912 0.324 . . . . 0.0 111.073 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.82 -20.79 66.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 121.452 -0.099 . . . . 0.0 111.057 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.2 -37.4 23.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.059 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.408 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp -61.33 -18.74 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 118.837 0.744 . . . . 0.0 109.174 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -100.5 4.1 43.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.186 0.594 . . . . 0.0 111.22 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.34 -13.55 4.37 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLY . . . . . 0.412 ' C ' HD22 ' C' ' 55' ' ' LEU . . . 154.74 152.71 6.22 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.479 ' HA ' ' H42' ' B' ' 7' ' ' ' C' . 2.8 mm? -125.36 141.48 52.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.734 0.767 . . . . 0.0 111.053 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 50.1 p -143.5 -0.88 1.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 109.885 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.23 64.58 4.68 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 124.28 1.032 . . . . 0.0 109.223 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.27 170.91 0.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 124.694 3.596 . . . . 0.0 114.598 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.982 0.913 . . . . 0.0 112.547 -179.093 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C5'-C4'-C3' 111.205 -2.864 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.176 -3.524 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.546 -3.154 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.478 -3.222 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.016 -3.684 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.876 3.676 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 112.077 3.877 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.441 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 111.631 3.431 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.441 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.346 1 C5'-C4'-C3' 108.912 -4.392 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.43 ' H42' ' CB ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 110.095 -3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C5'-C4'-C3' 111.341 -2.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O5'-C5'-C4' 113.033 2.024 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 104.204 3.005 . 0.221 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 110.979 2.779 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C5'-C4'-C3' 109.51 -3.993 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.223 -3.477 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.679 -3.021 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.362 -3.338 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 100.063 -2.637 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.791 -2.909 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.48 -3.22 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.93 -2.77 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 50.3 tpp . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 119.865 -0.112 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.75 112.97 13.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.55 143.9 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.165 0.586 . . . . 0.0 109.691 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.61 134.84 27.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 p -95.59 144.26 26.19 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -146.15 135.22 22.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.093 0.557 . . . . 0.0 110.341 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.3 tptm -80.39 155.59 27.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 170.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 m -57.87 140.26 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.221 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.15 -15.07 61.94 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.544 0.592 . . . . 0.0 112.323 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.63 -178.63 7.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.893 0.846 . . . . 0.0 111.032 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.3 m -142.65 166.49 24.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.69 165.06 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.384 1.873 . . . . 0.0 107.303 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.29 153.68 46.55 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 118.604 0.638 . . . . 0.0 111.926 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -142.88 144.92 23.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.08 36.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -130.22 11.14 5.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.392 0.677 . . . . 0.0 109.685 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -139.07 8.97 2.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -131.48 145.4 35.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 119.07 0.85 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -138.48 154.48 48.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -135.71 148.92 27.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.7 m -144.24 125.89 15.07 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.33 93.27 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -64.72 -34.6 78.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.924 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.61 -171.36 36.75 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.669 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.38 160.73 42.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 122.723 0.409 . . . . 0.0 110.306 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -148.66 98.45 2.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.65 -96.47 0.36 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -172.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.2 mp0 -121.57 -2.77 9.37 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.381 0.673 . . . . 0.0 110.602 177.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.567 ' NE2' ' C5 ' ' D' ' 3' ' ' ' U' . 73.0 mt-30 -76.86 158.37 30.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -143.12 118.55 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -81.31 123.36 28.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.43 128.11 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.03 149.83 16.89 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.1 mt -135.98 144.97 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -135.68 103.44 5.43 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.69 155.07 56.55 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.99 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.57 151.39 70.13 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.088 2.526 . . . . 0.0 109.597 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -66.86 -1.34 3.84 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.214 -0.304 . . . . 0.0 110.298 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.07 -11.72 59.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.116 0.966 . . . . 0.0 110.994 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.47 161.07 31.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.937 0.895 . . . . 0.0 109.531 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.12 157.47 16.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.644 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.95 132.12 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -157.47 165.77 34.76 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -63.5 156.32 26.67 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 168.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.38 -23.71 67.04 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 122.117 -0.364 . . . . 0.0 110.909 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.06 -8.72 58.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.92 -34.19 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.443 0.697 . . . . 0.0 109.72 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -57.38 -37.65 72.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.823 0.283 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -65.42 -21.79 66.7 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.43 -36.9 23.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.361 0.264 . . . . 0.0 111.175 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.85 -17.94 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -102.04 2.68 37.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.546 0.738 . . . . 0.0 111.339 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.17 -31.45 5.33 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 148.73 152.39 5.7 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 176.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -164.51 172.59 13.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.993 0.517 . . . . 0.0 111.21 -177.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.2 p -142.72 5.38 1.57 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.881 0.872 . . . . 0.0 111.316 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -63.68 -34.77 13.42 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 51.4 Cg_exo -55.86 177.39 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.61 2.874 . . . . 0.0 113.779 174.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 123.669 0.788 . . . . 0.0 111.415 179.051 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.96 -2.74 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.253 -3.447 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.478 -3.222 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 O4'-C1'-N19 111.36 3.16 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 98.932 -3.768 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.536 ' C5 ' ' NE2' ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.791 -3.909 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.162 -3.538 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.427 ' N3 ' " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 O4'-C1'-N19 111.864 3.664 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 98.82 -3.88 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.471 3.271 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 P-O3'-C3' 122.383 2.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O5'-C5'-C4' 113.246 2.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 104.286 3.095 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 110.821 2.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.546 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-C3' 112.365 -2.09 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C5'-C4'-C3' 111.264 -2.824 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 100.15 -2.55 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.388 -3.312 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.791 -2.909 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.555 -3.145 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.625 -3.075 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C4'-C3'-C2' 100.158 -2.542 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -129.13 112.78 14.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.04 143.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.53 134.76 31.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.416 ' CG2' ' H61' ' D' ' 12' ' ' ' A' . 23.6 p -86.01 156.53 20.4 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.467 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.1 ttp180 -150.49 161.88 41.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE2' ' CB ' ' A' ' 28' ' ' GLN . 12.9 tptm -124.59 148.01 48.12 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.24 122.88 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 118.736 0.698 . . . . 0.0 109.928 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.73 0.38 23.06 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.402 -0.666 . . . . 0.0 113.123 -178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -110.94 -169.37 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.285 1.042 . . . . 0.0 111.773 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -152.28 169.92 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.148 0.979 . . . . 0.0 111.609 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.467 HG13 ' HD3' ' C' ' 6' ' ' ARG . 52.5 mt -144.74 164.94 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.026 1.73 . . . . 0.0 107.561 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -133.59 153.31 51.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.1 0.476 . . . . 0.0 111.675 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -144.71 143.57 22.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.95 43.6 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -129.92 10.65 5.51 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.522 0.729 . . . . 0.0 109.907 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.68 9.17 1.98 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.21 0.604 . . . . 0.0 112.42 -175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.48 145.11 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.942 0.792 . . . . 0.0 111.198 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -139.15 153.68 47.98 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 108.095 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -132.98 149.72 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -139.35 153.58 47.71 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.477 0.311 . . . . 0.0 110.302 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.404 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -112.06 93.11 2.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 C-N-CA 123.611 0.764 . . . . 0.0 109.146 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.43 -31.95 73.02 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.594 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -171.07 34.2 Favored Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.54 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.66 161.73 39.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 CA-C-N 116.924 0.362 . . . . 0.0 110.492 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.6 m -149.78 106.0 3.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -96.9 0.33 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 9.2 mm-40 -125.65 -0.74 7.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.062 0.545 . . . . 0.0 110.669 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.536 ' NE2' ' C5 ' ' B' ' 3' ' ' ' U' . 68.3 mt-30 -73.33 154.84 39.94 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 172.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.75 117.39 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -80.62 116.04 20.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 171.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -114.13 140.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 149.84 18.68 Favored Glycine 0 C--N 1.331 0.286 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 1' ' ' MET . 75.7 mt -135.6 145.36 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -135.41 102.61 5.2 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.13 53.61 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.047 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.32 152.56 55.51 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.059 2.506 . . . . 0.0 110.482 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.96 -5.33 5.94 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 122.291 -0.255 . . . . 0.0 110.43 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.71 -9.08 40.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.066 0.946 . . . . 0.0 111.259 172.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.1 160.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.522 0.729 . . . . 0.0 109.743 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.07 156.19 17.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.51 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.39 134.88 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -157.28 169.87 23.76 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 122.997 0.519 . . . . 0.0 110.584 -176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.3 ptp85 -79.39 165.8 22.72 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.26 -24.04 66.1 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.495 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.0 tp10 -72.17 -51.06 23.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.628 0.649 . . . . 0.0 110.606 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.44 -31.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.888 -172.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.56 -41.6 77.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.178 0.444 . . . . 0.0 110.613 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.42 -21.05 66.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.981 -0.1 . . . . 0.0 111.058 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.15 -37.6 20.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.91 -18.73 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 118.541 0.61 . . . . 0.0 109.45 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -99.71 3.63 45.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.914 0.486 . . . . 0.0 111.179 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.12 -12.25 5.79 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.83 151.93 5.76 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -126.05 160.88 28.89 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.122 0.486 . . . . 0.0 110.547 -173.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -148.53 -0.53 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.649 0.78 . . . . 0.0 110.181 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.472 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -150.73 55.09 1.61 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 77.3 Cg_exo -51.59 167.62 0.39 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.163 2.575 . . . . 0.0 113.599 178.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.233 0.201 0 C-N-CA 123.352 0.661 . . . . 0.0 112.43 -178.341 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 N19-C1'-C2' 109.189 -2.632 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.419 -3.281 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.557 -3.143 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 98.988 -3.712 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.211 -3.489 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . 0.567 ' C5 ' ' NE2' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.257 -3.443 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 112.135 3.935 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.428 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C3'-C2'-C1' 104.224 3.026 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.428 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.379 1 C5'-C4'-C3' 107.572 -5.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 1 C5'-C4'-C3' 109.241 -4.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C3'-C2'-C1' 103.705 2.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 P-O3'-C3' 122.185 2.071 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C3'-C2'-C1' 104.312 3.124 . 0.175 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.451 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 109.542 -3.972 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C4'-C3'-C2' 99.129 -3.571 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.138 -3.562 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.154 -3.546 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 C4'-C3'-C2' 99.9 -2.8 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 100.023 -2.677 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.614 -3.086 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.972 -2.728 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 110.79 13.39 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.4 145.92 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.145 0 C-N-CA 123.32 0.648 . . . . 0.0 109.53 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -141.37 157.49 45.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -120.58 138.21 54.0 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -144.53 134.6 24.04 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.796 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -79.43 156.06 28.05 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.28 131.35 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.356 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 -14.52 42.35 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.616 -0.546 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -87.43 -179.72 6.42 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.346 1.073 . . . . 0.0 110.735 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -142.49 167.18 22.71 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -142.71 165.03 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.496 1.918 . . . . 0.0 107.508 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -139.14 153.69 47.99 Favored 'General case' 0 C--N 1.338 0.083 0 O-C-N 121.677 -0.639 . . . . 0.0 112.159 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.77 144.02 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.83 -141.63 32.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.0 12.22 5.65 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.506 0.722 . . . . 0.0 110.133 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -137.92 7.48 2.71 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.855 0.862 . . . . 0.0 111.773 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.83 146.06 34.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.127 0.876 . . . . 0.0 110.914 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -139.04 156.68 47.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.77 147.96 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.6 m -143.65 127.06 16.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -79.73 95.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.2 mt -69.18 -30.44 68.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.961 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.26 -172.07 35.87 Favored Glycine 0 C--N 1.34 0.775 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.652 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -133.65 163.07 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.025 0.441 . . . . 0.0 110.372 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -146.69 79.38 1.52 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.57 -114.24 4.05 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 107.878 -2.089 . . . . 0.0 107.878 -172.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -100.82 -2.35 32.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.971 0.385 . . . . 0.0 110.297 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.532 ' NE2' ' C5 ' ' D' ' 3' ' ' ' U' . 70.9 mt-30 -78.71 153.3 31.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -141.85 118.98 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' NE ' ' H62' ' D' ' 12' ' ' ' A' . 51.3 mtt85 -77.92 118.5 20.28 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 170.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -120.85 121.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.4 149.14 19.23 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -133.34 144.99 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -137.75 102.95 4.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.75 57.95 Favored Pre-proline 0 N--CA 1.449 -0.478 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.14 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.03 151.49 67.54 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.922 2.415 . . . . 0.0 109.839 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -66.6 -1.41 3.67 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.546 0.212 . . . . 0.0 110.538 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.92 -10.63 58.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 110.824 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.92 160.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.877 0.871 . . . . 0.0 109.603 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.27 157.35 16.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.856 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.05 133.19 3.9 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -157.09 167.61 29.91 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.68 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -70.65 162.1 29.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -67.22 -23.59 65.74 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.347 -0.221 . . . . 0.0 110.665 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.67 -5.78 59.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 111.96 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -116.94 -33.35 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 123.93 0.892 . . . . 0.0 110.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.43 -37.1 69.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 117.756 0.253 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.99 -21.21 66.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.505 -0.122 . . . . 0.0 111.132 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -87.16 -35.97 18.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.552 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.42 -17.63 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -101.49 4.25 41.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.702 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -122.17 -32.78 3.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.863 0.465 . . . . 0.0 112.114 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 154.34 151.23 5.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -163.35 174.72 11.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.611 0.364 . . . . 0.0 111.241 -176.414 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 t -154.38 20.54 0.48 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.277 0.631 . . . . 0.0 110.581 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.626 ' H ' ' CD ' ' A' ' 58' ' ' PRO . . . -127.13 -19.59 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -172.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.626 ' CD ' ' H ' ' A' ' 57' ' ' ALA . 76.9 Cg_exo -52.51 167.43 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.26 1.973 . . . . 0.0 113.995 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t0 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.697 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.747 -2.953 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 C4'-C3'-C2' 99.386 -3.314 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.48 -3.22 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.294 3.094 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 99.024 -3.676 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.415 -3.285 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.493 ' N4 ' HE22 ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C4'-C3'-C2' 99.658 -3.042 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.433 ' N3 ' " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 112.287 4.087 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.346 -3.354 . 0.044 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 111.861 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C5'-C4'-C3' 111.789 -2.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 O5'-C5'-C4' 112.924 1.946 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C3'-C2'-C1' 104.374 3.194 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 111.185 2.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.567 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C5'-C4'-C3' 111.708 -2.528 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 1 C5'-C4'-C3' 107.793 -5.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C4'-C3'-C2' 99.634 -3.066 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.358 -3.342 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.893 -2.807 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.854 -2.846 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.568 -3.132 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 100.114 -2.586 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.35 103.22 7.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.32 146.08 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.56 158.56 43.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.3 p -121.84 145.0 48.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.479 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 1.6 tpt180 -147.68 155.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.289 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.43 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 7.4 tptm -98.44 150.63 21.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.09 132.23 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 118.417 0.553 . . . . 0.0 110.291 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.42 35.86 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.645 -0.53 . . . . 0.0 112.551 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . 0.479 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 50.9 mm-40 -106.46 -176.66 3.14 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.125 0.963 . . . . 0.0 111.537 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -139.35 169.9 16.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -146.56 165.82 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.121 1.768 . . . . 0.0 107.211 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -135.64 153.43 51.63 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 119.043 0.838 . . . . 0.0 112.662 -174.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -144.65 144.0 22.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 108.68 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -141.19 38.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.71 10.63 6.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.36 0.664 . . . . 0.0 109.903 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.19 9.38 1.88 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.423 0.689 . . . . 0.0 111.918 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.95 146.5 33.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 CA-C-N 118.777 0.717 . . . . 0.0 110.752 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -140.34 155.33 46.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.62 149.54 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.4 m -142.21 121.1 12.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -77.46 91.46 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.4 mt -67.54 -32.01 72.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.54 -169.54 35.63 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.68 165.88 28.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 122.51 0.324 . . . . 0.0 110.631 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -151.4 102.84 2.94 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.14 -95.93 0.3 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -172.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -124.46 1.6 8.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.406 0.683 . . . . 0.0 110.577 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.493 HE22 ' N4 ' ' B' ' 4' ' ' ' C' . 58.4 mt-30 -71.64 160.78 32.06 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -140.6 119.66 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -80.12 119.89 23.53 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -120.82 121.19 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.91 150.16 19.61 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -136.3 144.75 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -135.04 104.19 5.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.54 155.01 53.28 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.4 152.49 60.69 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.116 2.544 . . . . 0.0 110.471 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -66.21 -2.18 4.03 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 122.38 -0.2 . . . . 0.0 110.667 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.82 -11.47 58.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.917 0.887 . . . . 0.0 110.653 172.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.41 160.93 31.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 109.868 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.64 157.43 16.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 122.395 0.278 . . . . 0.0 111.601 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.99 134.02 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -156.5 169.59 24.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.718 0.407 . . . . 0.0 111.484 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -71.94 158.78 35.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.66 -23.28 67.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.912 -0.492 . . . . 0.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 -2.15 57.82 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.734 0.813 . . . . 0.0 111.967 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.07 -35.52 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 C-N-CA 123.776 0.83 . . . . 0.0 109.618 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.26 -38.08 68.08 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.088 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -65.23 -20.73 66.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.331 -0.23 . . . . 0.0 111.164 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.02 -31.74 20.39 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.958 0.503 . . . . 0.0 111.377 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.665 ' HA ' HD13 ' C' ' 55' ' ' LEU . 2.2 mp -65.69 -17.93 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -105.43 11.22 32.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.584 0.753 . . . . 0.0 111.878 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.64 4.2 17.07 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -168.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.38 6.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 120.121 1.328 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.665 HD13 ' HA ' ' C' ' 51' ' ' ILE . 0.3 OUTLIER -53.72 -179.32 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.158 2.183 . . . . 0.0 115.547 -177.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -140.5 17.34 2.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.503 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -136.13 39.88 0.47 Allowed Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 83.4 Cg_exo -48.71 -29.44 14.54 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.621 2.214 . . . . 0.0 113.647 175.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 123.563 0.745 . . . . 0.0 109.279 -174.46 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 N19-C1'-C2' 108.981 -2.762 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.05 -3.65 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.579 -3.121 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.325 -3.375 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 98.825 -3.875 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . 0.532 ' C5 ' ' NE2' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 98.976 -3.724 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.607 3.407 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.414 ' N3 ' " H3'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 O4'-C1'-N19 111.999 3.799 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.261 -3.439 . 0.057 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 C5'-C4'-C3' 110.644 -3.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 110.62 2.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C4'-C3' 107.918 1.727 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.165 2.961 . 0.158 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 O4'-C1'-N19 110.885 2.685 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.44 ' H62' ' NE ' ' A' ' 31' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 N19-C1'-C2' 109.433 -2.48 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 1 C5'-C4'-C3' 108.253 -4.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.691 -3.009 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.111 -3.589 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 100.174 -2.526 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.866 -2.834 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.477 -3.223 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.993 -2.707 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 107.24 10.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 173.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.43 147.24 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -140.03 159.85 41.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -120.05 140.99 50.17 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -144.29 164.16 31.57 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -113.38 155.94 24.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.06 113.43 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.104 0.478 . . . . 0.0 110.555 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.1 -14.59 8.92 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.923 0.773 . . . . 0.0 112.656 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -85.52 -175.23 5.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 117.753 0.777 . . . . 0.0 111.867 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -145.58 167.52 22.85 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.9 165.79 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 126.549 1.939 . . . . 0.0 107.646 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.46 153.93 50.01 Favored 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 118.858 0.753 . . . . 0.0 112.338 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -142.56 144.94 23.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 123.926 0.89 . . . . 0.0 108.722 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.62 -140.63 37.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.32 11.26 5.39 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 109.529 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -139.65 8.4 2.37 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.577 0.751 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.139 0.881 . . . . 0.0 110.649 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -137.8 155.35 49.11 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.25 148.98 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -139.49 149.78 44.38 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.44 88.56 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.67 -31.34 72.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.193 0.597 . . . . 0.0 111.753 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -168.13 34.31 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.857 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.93 160.42 35.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -147.78 79.56 1.48 Allowed 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.71 -118.11 4.92 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.844 -2.102 . . . . 0.0 107.844 -171.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.17 0.54 43.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -80.94 160.61 24.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.7 t -140.46 118.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -77.62 115.26 17.23 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -113.74 143.57 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 151.46 17.12 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.49 144.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -136.3 103.42 5.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.3 155.86 57.67 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.178 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.75 151.66 57.82 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.718 2.279 . . . . 0.0 110.176 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.33 -4.0 4.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.402 -0.186 . . . . 0.0 110.555 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.89 -8.02 40.21 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.397 1.079 . . . . 0.0 110.933 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.13 160.56 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 123.521 0.729 . . . . 0.0 109.415 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.52 156.98 17.25 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 111.455 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.42 133.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -157.02 167.2 31.18 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.915 0.486 . . . . 0.0 110.882 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.77 159.24 33.92 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.565 . . . . 0.0 111.177 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.13 -3.64 58.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.54 0.736 . . . . 0.0 111.87 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -116.91 -34.27 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 C-N-CA 123.714 0.806 . . . . 0.0 109.692 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -55.96 -38.13 69.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 117.954 0.343 . . . . 0.0 111.394 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -65.08 -20.79 66.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.221 0.082 . . . . 0.0 111.221 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.56 -35.53 19.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.54 0.336 . . . . 0.0 111.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.646 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.8 mp -65.33 -17.57 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -101.42 3.62 40.58 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.589 0.756 . . . . 0.0 111.595 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.1 -32.47 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 149.98 154.14 6.33 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 176.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -163.03 177.81 8.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.184 0.516 . . . . 0.0 111.488 -176.267 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -139.91 16.6 2.48 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.328 1.051 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -144.26 57.23 4.73 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 123.189 0.596 . . . . 0.0 111.571 -177.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 93.4 Cg_exo -48.14 -33.16 20.62 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.816 3.01 . . . . 0.0 114.391 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 122.45 0.3 . . . . 0.0 111.674 -174.5 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.538 -3.162 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C4'-C3'-C2' 99.425 -3.275 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.51 -3.19 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.395 -3.305 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C4'-C3'-C2' 99.034 -3.666 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 98.928 -3.772 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 O4'-C1'-N19 111.549 3.349 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.422 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.714 3.514 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.422 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 C5'-C4'-C3' 109.451 -4.033 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.498 ' H42' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.927 3.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C3'-C2'-C1' 103.507 2.23 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 P-O3'-C3' 122.131 2.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 111.49 -2.673 . 0.115 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C5'-C4'-C3' 109.702 -3.865 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C4'-C3'-C2' 99.04 -3.66 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 99.183 -3.517 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.961 -3.739 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 99.86 -2.84 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.081 2.881 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.607 -3.093 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 O4'-C1'-N19 110.779 2.579 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 107.53 11.71 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 145.6 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.384 0.674 . . . . 0.0 109.596 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -143.16 134.84 26.53 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -93.9 144.44 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.638 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 0.8 OUTLIER -147.34 129.19 15.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.452 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -75.74 146.58 39.96 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 174.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.16 126.13 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.75 -3.02 27.47 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.461 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -111.6 -178.31 3.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.573 1.187 . . . . 0.0 110.98 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -136.56 169.9 16.94 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -143.58 165.94 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.783 2.033 . . . . 0.0 107.164 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -138.08 153.79 49.28 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.333 -0.854 . . . . 0.0 112.226 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -142.42 145.03 24.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 124.111 0.964 . . . . 0.0 108.815 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.39 -140.2 43.29 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -129.88 10.34 5.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.627 0.771 . . . . 0.0 109.444 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -142.58 9.15 1.78 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.742 0.817 . . . . 0.0 112.308 -175.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.37 147.39 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.033 0.833 . . . . 0.0 110.88 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -137.65 154.74 49.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -134.87 148.65 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -144.47 135.88 25.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.05 0.452 . . . . 0.0 110.087 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -89.52 92.92 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.97 -31.77 72.88 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -167.78 34.08 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.357 -0.449 . . . . 0.0 112.361 173.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.36 164.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.56 64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -113.04 3.56 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -92.27 -6.97 49.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -76.96 156.11 32.2 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.335 0.588 . . . . 0.0 110.139 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -137.26 121.51 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.433 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -83.19 118.93 23.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 171.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -119.57 135.65 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.72 152.05 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -135.8 145.24 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -134.84 104.91 6.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.36 155.31 49.96 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 123.897 0.879 . . . . 0.0 109.19 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.33 152.59 61.17 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.66 2.24 . . . . 0.0 110.324 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -66.09 -2.19 3.9 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.924 -0.485 . . . . 0.0 110.371 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.18 -11.6 59.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.891 0.876 . . . . 0.0 110.868 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.43 160.55 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.825 0.85 . . . . 0.0 109.286 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.61 155.56 17.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.973 0.416 . . . . 0.0 111.542 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.91 133.61 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -155.69 165.86 35.25 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 121.044 0.449 . . . . 0.0 111.634 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -68.75 154.48 41.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.37 -23.78 66.01 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.528 0.604 . . . . 0.0 112.076 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.83 -36.58 70.25 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 110.358 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -91.83 -32.12 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.93 -170.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.9 -40.33 72.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 117.916 0.325 . . . . 0.0 110.495 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.8 -20.85 66.61 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.413 -0.18 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' ARG . . . . . 0.415 ' HD2' ' C5 ' ' B' ' 7' ' ' ' C' . 41.1 ttm180 -87.42 -36.87 17.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 119.07 -0.49 . . . . 0.0 111.749 -176.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.23 -18.65 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.759 0.709 . . . . 0.0 109.606 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -98.18 3.67 49.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.09 0.556 . . . . 0.0 111.124 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.51 -12.69 4.39 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.0 151.97 5.86 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.498 ' HA ' ' H42' ' B' ' 7' ' ' ' C' . 2.7 mm? -125.92 160.81 28.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.539 -172.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -141.56 1.23 1.53 Allowed 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.802 0.841 . . . . 0.0 110.805 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.528 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -151.22 39.32 0.17 Allowed Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 81.0 Cg_exo -47.67 -42.2 30.08 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.614 2.209 . . . . 0.0 113.431 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 123.924 0.89 . . . . 0.0 109.313 -176.619 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.068 -2.955 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.496 -3.204 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.706 -2.994 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.378 -3.322 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 98.974 -3.726 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.026 -3.674 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.307 -3.393 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.446 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.579 3.379 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.446 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C5'-C4'-C3' 109.681 -3.879 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 O4'-C1'-N19 111.743 3.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C5'-C4'-C3' 110.618 -3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O5'-C5'-C4' 112.572 1.694 . 0.015 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C3'-C2'-C1' 104.292 3.102 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 O4'-C1'-N19 110.505 2.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.51 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C5'-C4'-C3' 112.177 -2.216 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 C5'-C4'-C3' 108.401 -4.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.495 -3.205 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 99.29 -3.41 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.86 -2.84 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.733 -2.967 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 99.441 -3.259 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O4'-C1'-N19 110.876 2.676 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.76 109.26 11.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.58 144.87 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.91 134.93 27.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.0 p -91.38 145.63 24.47 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -146.52 127.37 14.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -79.88 148.74 31.19 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 m -57.86 129.99 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.95 43.02 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.755 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -112.25 -176.92 3.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.395 1.097 . . . . 0.0 111.048 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -141.46 169.84 16.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -145.1 165.54 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.355 1.862 . . . . 0.0 107.418 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.22 153.56 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.485 -0.76 . . . . 0.0 112.427 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -142.66 142.6 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.72 -140.3 38.03 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.364 -1.095 . . . . 0.0 110.364 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.34 10.69 5.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.47 0.708 . . . . 0.0 109.548 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -139.87 9.1 2.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.972 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.12 146.05 34.46 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 118.77 0.714 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -138.92 154.23 48.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.81 149.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 83.3 m -141.93 150.93 42.12 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -111.6 97.32 5.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.99 -33.68 74.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.11 -175.46 36.9 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.787 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.29 161.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.342 0.269 0 CA-C-N 117.154 0.477 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 m -153.09 107.13 3.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.41 -104.76 1.04 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -116.77 -3.59 11.7 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.583 0.753 . . . . 0.0 109.987 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.561 ' NE2' ' C5 ' ' D' ' 3' ' ' ' U' . 65.2 mt-30 -73.84 152.89 40.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 173.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -144.81 120.37 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 34.8 mtm180 -82.1 122.95 28.5 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 170.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.11 140.64 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.76 147.73 18.91 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -135.57 144.86 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -135.42 103.0 5.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.78 155.23 56.18 Favored Pre-proline 0 N--CA 1.449 -0.476 0 C-N-CA 123.604 0.762 . . . . 0.0 109.331 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.7 152.5 58.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.082 2.521 . . . . 0.0 110.231 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.61 -2.15 3.26 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.446 -0.159 . . . . 0.0 110.728 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.61 -11.45 60.06 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.988 0.915 . . . . 0.0 110.651 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.29 160.9 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.691 0.796 . . . . 0.0 109.286 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.7 157.23 17.33 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.3 131.24 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -159.1 165.59 33.49 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 122.774 0.429 . . . . 0.0 111.687 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -67.37 159.67 28.93 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 168.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.53 -33.82 73.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.63 0.372 . . . . 0.0 111.337 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 -14.26 60.08 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -102.34 -33.95 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 123.133 0.573 . . . . 0.0 109.697 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -55.32 -39.22 69.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.398 -0.189 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.28 -21.71 66.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.622 0.192 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.39 -35.7 24.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.164 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.61 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -65.24 -17.41 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -102.77 2.44 35.6 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.336 0.654 . . . . 0.0 111.258 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.17 -29.32 5.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.113 0.415 . . . . 0.0 111.719 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 146.54 153.19 5.82 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -164.62 172.92 12.54 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.022 0.529 . . . . 0.0 110.885 -178.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.7 p -143.74 6.83 1.43 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 110.947 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -63.97 -36.26 19.76 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 118.27 -0.871 . . . . 0.0 113.141 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 65.8 Cg_exo -54.89 168.49 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.047 2.498 . . . . 0.0 114.853 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.486 1.114 . . . . 0.0 112.167 -179.65 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 100.007 -2.693 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.214 -3.486 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.503 -3.197 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.412 -3.288 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.161 -3.539 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.007 -3.693 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.219 -3.481 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.416 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C3'-C2'-C1' 103.96 2.734 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.416 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C5'-C4'-C3' 109.581 -3.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.788 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 P-O3'-C3' 122.294 2.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 O5'-C5'-C4' 113.05 2.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C3'-C2'-C1' 104.299 3.11 . 0.092 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.562 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C5'-C4'-C3' 112.423 -2.052 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C4'-C3'-C2' 99.408 -3.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 99.759 -2.941 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.181 -3.519 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.987 -2.713 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.704 -2.996 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.557 -3.143 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 100.118 -2.582 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 119.867 -0.111 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.6 112.5 15.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -87.71 144.86 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.37 133.73 29.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 170.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -87.61 148.14 24.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 172.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.425 ' HD3' HG13 ' C' ' 12' ' ' ILE . 36.4 ttp180 -148.08 155.93 42.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.452 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.3 tptm -109.81 144.14 38.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.4 t -53.25 113.34 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.28 6.52 8.88 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.789 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -121.73 -168.04 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.437 1.119 . . . . 0.0 111.54 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 53.7 m -152.81 168.51 25.51 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.444 0.698 . . . . 0.0 111.691 -170.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.425 HG13 ' HD3' ' C' ' 6' ' ' ARG . 31.2 mt -145.36 165.25 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.449 1.9 . . . . 0.0 107.706 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.85 153.34 52.08 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.885 0.474 . . . . 0.0 111.263 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -143.6 143.94 23.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.98 -138.25 45.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -130.34 10.06 5.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.538 0.735 . . . . 0.0 110.041 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.61 9.75 2.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.079 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.28 34.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 119.152 0.887 . . . . 0.0 110.922 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -138.51 153.69 48.76 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -133.61 149.61 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -138.28 154.71 49.03 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 tp -115.31 90.06 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.576 0.75 . . . . 0.0 109.048 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.0 -23.99 63.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.973 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 153.93 -173.45 32.56 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.284 177.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.57 159.68 42.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -147.18 83.58 1.57 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.4 -118.21 5.21 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 107.547 -2.221 . . . . 0.0 107.547 -171.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.81 0.45 41.59 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.01 160.48 27.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 109.573 172.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.43 119.01 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -80.23 116.01 20.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -116.19 142.0 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.7 149.65 18.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.86 145.4 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.43 102.62 5.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.28 154.93 57.91 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.71 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.44 152.13 65.59 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 122.758 2.305 . . . . 0.0 109.76 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.65 -2.82 3.87 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 122.413 -0.179 . . . . 0.0 110.536 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.18 -11.33 59.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.067 0.947 . . . . 0.0 110.896 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.47 160.83 31.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.442 0.697 . . . . 0.0 109.224 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.17 155.36 18.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 111.682 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.35 132.02 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -156.89 167.41 30.55 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -69.74 163.15 26.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -65.5 -24.15 67.07 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.298 -0.251 . . . . 0.0 111.276 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.8 -48.55 30.65 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.496 0.665 . . . . 0.0 110.021 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.4 -33.18 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.129 -173.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.21 -42.92 77.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.0 -0.437 . . . . 0.0 110.883 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.82 -20.76 66.36 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.464 -0.148 . . . . 0.0 110.774 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.61 -37.22 23.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.834 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.91 -18.69 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -98.27 3.74 48.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.371 0.668 . . . . 0.0 111.323 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.62 -13.35 5.95 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.74 153.17 6.13 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.06 156.02 42.35 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 110.564 -172.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -142.58 0.04 1.25 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.988 0.915 . . . . 0.0 110.489 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.453 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -153.19 56.84 1.78 Allowed Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 123.419 0.687 . . . . 0.0 110.789 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 76.6 Cg_exo -51.36 168.48 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.544 2.829 . . . . 0.0 114.02 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.633 -179.436 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C5'-C4'-C3' 111.056 -2.962 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C4'-C3'-C2' 99.359 -3.341 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.605 -3.095 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.362 -3.338 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.151 -3.549 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . 0.561 ' C5 ' ' NE2' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 98.746 -3.954 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.745 3.545 . 0.303 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.438 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C3'-C2'-C1' 104.188 2.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.438 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 C5'-C4'-C3' 109.288 -4.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 111.693 3.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C3'-C2'-C1' 103.575 2.306 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 P-O3'-C3' 122.177 2.064 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 C3'-C2'-C1' 104.292 3.102 . 0.141 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O4'-C1'-N19 111.105 2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.578 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 O3'-P-O5' 100.196 -2.002 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C5'-C4'-C3' 111.524 -2.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.885 -2.815 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.34 -3.36 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.985 -2.715 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 100.025 -2.675 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.597 -3.103 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 100.023 -2.677 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.9 tpp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.33 109.64 11.99 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.96 146.19 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -139.52 162.69 34.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -125.0 139.5 53.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -143.45 139.03 29.7 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.458 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -81.34 152.7 27.39 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.78 130.48 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 118.731 -1.187 . . . . 0.0 110.34 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.94 -14.76 37.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.875 0.75 . . . . 0.0 112.199 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -84.51 179.5 7.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.96 0.88 . . . . 0.0 111.167 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 m -140.49 167.17 22.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -142.54 165.23 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.994 1.718 . . . . 0.0 107.189 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -137.77 153.38 49.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.701 -0.624 . . . . 0.0 112.175 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -144.39 142.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.082 0.953 . . . . 0.0 108.517 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.64 -140.08 41.33 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -129.77 10.78 5.59 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.521 0.728 . . . . 0.0 109.748 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -141.25 8.7 2.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.304 0.641 . . . . 0.0 111.91 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 146.3 34.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.852 0.751 . . . . 0.0 110.379 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -139.99 156.39 46.65 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.371 1.068 . . . . 0.0 108.136 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.5 mm -135.97 148.6 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -143.86 125.04 14.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.11 95.58 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.1 -32.06 72.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.129 -0.357 . . . . 0.0 111.094 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -171.57 35.07 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.629 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.19 162.59 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.867 0.467 . . . . 0.0 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -153.21 92.45 1.62 Allowed 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 -119.45 6.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -170.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.74 -0.21 34.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.849 0.325 . . . . 0.0 110.53 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.548 ' NE2' ' C5 ' ' D' ' 3' ' ' ' U' . 75.7 mt-30 -79.76 154.91 28.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.29 122.56 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 37.9 mtm180 -83.2 122.23 28.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 170.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.42 124.18 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 149.21 18.78 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.3 mt -133.59 145.43 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.03 103.42 5.35 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.35 152.87 51.24 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.709 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -67.59 151.51 79.39 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.656 2.238 . . . . 0.0 108.99 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.663 ' HE2' ' N3 ' ' D' ' 9' ' ' ' G' . 0.3 OUTLIER -64.14 -6.09 5.96 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.71 -10.4 36.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.741 1.216 . . . . 0.0 111.553 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m -137.13 159.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.45 154.36 17.31 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG12 ' N1 ' ' D' ' 9' ' ' ' G' . 1.2 p -153.45 131.09 2.33 Favored 'Isoleucine or valine' 0 C--N 1.337 0.058 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -155.81 166.18 34.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.586 0.231 . . . . 0.0 111.303 -175.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -69.25 162.14 27.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.34 -28.97 69.66 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.209 -0.307 . . . . 0.0 110.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.09 -6.14 57.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.691 0.797 . . . . 0.0 112.626 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -116.41 -33.54 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 C-N-CA 124.06 0.944 . . . . 0.0 109.925 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.07 -36.13 67.73 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 117.887 0.312 . . . . 0.0 111.342 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.13 -21.55 66.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 122.352 -0.218 . . . . 0.0 111.041 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 60.1 ttm-85 -86.75 -36.27 18.72 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 122.607 0.363 . . . . 0.0 111.554 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.617 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -65.35 -18.07 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -100.91 2.77 41.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.378 0.671 . . . . 0.0 111.326 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 -31.14 5.57 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.663 0.385 . . . . 0.0 111.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 146.3 152.93 5.75 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 176.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -163.3 172.13 15.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.095 0.558 . . . . 0.0 111.197 -178.133 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.1 p -144.03 3.76 1.23 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.867 0.867 . . . . 0.0 110.988 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -65.93 -32.61 5.97 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 78.5 Cg_exo -53.65 171.99 0.28 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.382 2.721 . . . . 0.0 114.334 175.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 123.738 0.815 . . . . 0.0 111.546 178.872 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C5'-C4'-C3' 111.461 -2.693 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.281 -3.419 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.533 -3.167 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.287 3.087 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.766 -3.934 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 112.085 3.885 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 O4'-C1'-N19 111.546 3.346 . 0.318 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 1 C5'-C4'-C3' 109.358 -4.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-O4' 114.144 3.531 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 O4'-C1'-N19 111.581 3.381 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 P-O3'-C3' 122.224 2.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 P-O3'-C3' 122.167 2.056 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C3'-C2'-C1' 104.154 2.949 . 0.113 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O4'-C1'-N19 111.271 3.071 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.542 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C5'-C4'-C3' 111.889 -2.407 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 1 C5'-C4'-C3' 108.232 -4.845 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.68 -3.02 . 0.393 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.483 -3.217 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C4'-C3'-C2' 99.716 -2.984 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.2 3.0 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.552 -3.148 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C4'-C3'-C2' 99.75 -2.95 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.585 -0.245 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.01 104.4 8.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.96 146.43 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.55 155.19 46.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.8 p -116.8 145.06 43.77 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.442 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.8 mmp_? -143.6 164.66 29.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.433 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 10.8 tptm -113.82 151.79 31.58 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -56.26 119.74 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.096 0.862 . . . . 0.0 110.042 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.37 4.96 21.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.016 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -113.37 -178.77 3.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.536 1.168 . . . . 0.0 110.988 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -143.87 167.44 22.32 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -142.77 165.19 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.3 1.84 . . . . 0.0 107.52 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -134.65 153.5 51.95 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 121.802 -0.561 . . . . 0.0 111.211 -176.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.44 141.78 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -139.37 41.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.23 10.88 5.39 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.579 0.752 . . . . 0.0 109.415 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.41 9.28 2.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.292 0.637 . . . . 0.0 112.054 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.25 146.28 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 118.951 0.796 . . . . 0.0 110.576 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.7 m -140.64 155.67 46.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -133.66 149.24 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 74.6 m -144.57 126.89 15.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.57 96.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.26 -33.13 71.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.307 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.07 -172.43 36.56 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.272 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.93 161.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 122.576 0.35 . . . . 0.0 110.256 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 p -153.73 114.64 4.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.99 -99.29 0.3 Allowed Glycine 0 C--N 1.334 0.421 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -125.96 1.02 7.3 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.26 0.624 . . . . 0.0 110.605 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -74.16 160.29 31.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.65 120.22 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -79.93 121.52 25.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.0 125.73 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.64 150.18 19.29 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 108.646 -1.782 . . . . 0.0 108.646 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.8 mt -135.61 145.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -134.97 105.35 6.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.79 155.31 48.26 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 123.837 0.855 . . . . 0.0 108.999 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.71 152.66 59.06 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.008 2.472 . . . . 0.0 110.277 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.89 -5.21 8.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.983 -0.448 . . . . 0.0 110.372 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -9.28 44.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.106 0.963 . . . . 0.0 111.082 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 161.33 28.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.637 0.775 . . . . 0.0 109.006 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.51 156.35 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.15 -0.344 . . . . 0.0 111.515 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.14 132.04 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -157.88 164.71 36.65 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.577 0.351 . . . . 0.0 110.413 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 4.9 ptp85 -72.7 163.64 27.77 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 171.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.45 -24.87 65.56 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.4 tp10 -70.85 -51.75 24.57 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.645 0.657 . . . . 0.0 110.605 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -74.4 -32.28 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.956 -171.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.3 -40.89 68.33 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.412 0.551 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.9 -20.69 65.96 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.0 -0.091 . . . . 0.0 111.103 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.1 -34.03 22.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 122.744 0.418 . . . . 0.0 111.822 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.426 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.6 mp -64.01 -18.37 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -105.46 2.81 28.92 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.63 0.772 . . . . 0.0 112.73 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.5 -8.58 13.85 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 -0.89 3.12 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 118.987 0.812 . . . . 0.0 112.788 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.1 mm? 62.72 164.5 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.059 1.344 . . . . 0.0 113.268 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -147.73 5.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.089 1.356 . . . . 0.0 109.687 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -146.04 59.59 5.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 123.586 0.754 . . . . 0.0 111.165 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 69.7 Cg_exo -54.37 -168.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 124.655 3.57 . . . . 0.0 115.58 176.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.226 -174.328 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.577 -3.123 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.352 -3.348 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.445 -3.255 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.449 -3.251 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 98.875 -3.825 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . 0.548 ' C5 ' ' NE2' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.088 -3.612 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.632 3.432 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 O4'-C1'-N19 112.173 3.973 . 0.025 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-O4' 113.687 3.205 . 0.045 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.404 ' C5 ' ' HD2' ' A' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.914 -3.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.656 2.456 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . 0.663 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C5'-C4'-O4' 112.15 2.107 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C5'-C4'-C3' 110.739 -3.174 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.555 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 110.06 1.86 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C5'-C4'-C3' 111.301 -2.8 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 100.038 -2.662 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.383 -3.317 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.985 -2.715 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.879 -2.821 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.45 -3.25 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.971 -2.729 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.9 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.901 -0.037 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.26 110.64 13.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.16 144.56 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.23 134.76 28.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -92.96 142.98 26.7 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -149.07 134.35 18.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -83.56 151.63 25.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.18 134.07 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.81 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.74 -0.62 52.37 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.286 -0.73 . . . . 0.0 112.965 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -109.18 -175.96 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.485 1.142 . . . . 0.0 110.489 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -140.88 169.57 17.38 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -171.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -143.89 165.68 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 126.441 1.896 . . . . 0.0 107.559 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -133.11 153.42 51.53 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.376 -0.828 . . . . 0.0 112.145 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -144.56 140.41 23.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.651 0.78 . . . . 0.0 109.016 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.3 -140.46 42.62 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -130.58 10.7 5.21 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.079 0.551 . . . . 0.0 109.869 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -140.09 9.21 2.32 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.412 0.685 . . . . 0.0 111.655 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.96 148.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.77 0.714 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -140.68 156.24 46.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.69 149.11 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -174.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.13 150.42 44.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.5 90.44 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.66 -31.04 71.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.445 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -171.74 35.5 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.964 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.94 160.44 42.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -146.37 81.15 1.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.99 -118.85 6.15 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -171.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -93.82 -4.55 49.96 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.581 ' NE2' ' C5 ' ' D' ' 3' ' ' ' U' . 67.7 mt-30 -80.91 149.66 29.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.9 124.71 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 29.3 mtm180 -85.41 120.98 27.48 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 170.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.46 141.59 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.92 150.78 18.46 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -135.85 145.3 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.21 103.7 5.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.13 155.67 54.75 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.109 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.21 152.96 51.03 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.279 2.652 . . . . 0.0 110.397 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? -65.79 -4.42 6.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.246 -0.284 . . . . 0.0 110.686 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.23 -9.9 50.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.746 172.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -138.52 161.01 31.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.536 0.734 . . . . 0.0 109.474 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.72 156.17 18.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.56 133.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -157.35 165.9 34.54 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 112.066 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -64.91 157.04 29.11 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.81 -24.51 67.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.802 0.274 . . . . 0.0 111.392 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -72.05 -46.9 55.2 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.53 0.681 . . . . 0.0 110.026 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.12 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.841 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.4 -41.06 72.2 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.195 0.452 . . . . 0.0 110.959 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.92 -21.04 66.0 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.483 -0.135 . . . . 0.0 110.972 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -84.25 -34.06 23.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.807 0.443 . . . . 0.0 111.328 -176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 2.5 mp -65.23 -18.11 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -105.34 6.59 32.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.316 0.646 . . . . 0.0 112.023 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.26 -8.85 13.93 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -0.34 5.36 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 119.124 0.874 . . . . 0.0 112.499 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 51' ' ' ILE . 2.1 mm? 63.38 158.57 0.08 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.274 1.43 . . . . 0.0 112.749 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -149.89 -5.42 0.35 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.446 1.098 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.439 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -150.88 55.49 1.73 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 123.755 0.822 . . . . 0.0 111.054 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 77.0 Cg_exo -46.64 -34.85 16.02 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.42 2.747 . . . . 0.0 113.869 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 CA--C 1.531 0.212 0 C-N-CA 122.884 0.474 . . . . 0.0 111.479 -176.83 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 111.528 -2.648 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.481 -3.219 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.698 -3.002 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.525 -3.175 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 98.818 -3.882 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.537 ' C5 ' ' NE2' ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 O4'-C1'-N19 111.601 3.401 . 0.588 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.526 3.326 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.512 H5'' ' C4 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 110.288 -3.475 OUTLIER-DELTA 0.088 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.444 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 C5'-C4'-C3' 109.487 -4.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 O4'-C1'-N19 111.387 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 112.007 -2.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 P-O3'-C3' 121.828 1.773 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 104.361 3.179 . 0.099 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.567 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C5'-C4'-C3' 112.034 -2.311 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 C5'-C4'-C3' 108.121 -4.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.641 -3.059 . 0.16 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 C4'-C3'-C2' 99.385 -3.315 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.958 0 C4'-C3'-C2' 99.994 -2.706 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.651 -3.049 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.876 -2.824 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 N19-C1'-C2' 109.052 -2.717 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 108.42 10.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.5 146.67 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.31 155.12 46.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -118.26 144.77 45.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.09 165.43 36.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -107.5 154.86 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -56.18 124.24 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 -3.46 24.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.632 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -104.18 -179.31 3.91 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.545 1.172 . . . . 0.0 112.179 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -138.76 165.65 26.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mt -144.12 165.86 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.383 1.873 . . . . 0.0 108.165 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.18 153.38 51.98 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 121.521 0.676 . . . . 0.0 112.221 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.11 144.39 23.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -138.85 40.23 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -129.93 10.62 5.5 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.337 0.655 . . . . 0.0 109.594 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.88 9.75 1.96 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.213 0.605 . . . . 0.0 111.938 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 146.66 33.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.218 0.917 . . . . 0.0 110.388 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.0 m -138.45 155.88 48.06 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.357 1.063 . . . . 0.0 108.303 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -133.32 149.15 31.06 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -176.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -139.96 151.89 45.89 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 6.1 tp -115.12 89.95 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.88 -32.33 73.78 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.47 -173.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.74 -170.24 35.23 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.91 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.11 164.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.026 0 C-N-CA 122.972 0.509 . . . . 0.0 110.163 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -152.94 102.64 2.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.14 -111.05 3.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.51 0.35 20.86 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.938 0.495 . . . . 0.0 111.046 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.537 ' NE2' ' C5 ' ' B' ' 3' ' ' ' U' . 69.5 mt-30 -80.01 156.78 27.0 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 173.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -143.1 120.79 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -80.59 119.22 22.94 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.83 141.57 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.44 149.93 18.51 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 1' ' ' MET . 69.5 mt -137.19 145.15 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -135.82 105.68 6.22 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.18 155.89 50.57 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.59 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.58 151.46 58.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.928 2.419 . . . . 0.0 110.144 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -64.65 -2.43 2.43 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 122.16 -0.337 . . . . 0.0 110.642 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.83 -11.47 60.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.013 0.925 . . . . 0.0 110.7 173.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.24 160.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 C-N-CA 123.619 0.768 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 156.13 17.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 111.545 -175.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.83 133.85 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -158.06 172.95 17.49 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.373 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.28 160.25 32.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.47 -28.2 69.04 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.73 -9.7 59.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.916 0.886 . . . . 0.0 112.167 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.45 -34.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 C-N-CA 123.707 0.803 . . . . 0.0 109.957 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -54.71 -38.93 67.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.036 0.38 . . . . 0.0 111.411 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.86 -21.93 66.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.444 -0.16 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -87.01 -30.6 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.646 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.5 mp -64.22 -18.9 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -105.4 2.42 28.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.342 0.657 . . . . 0.0 112.445 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.78 -14.11 13.13 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -172.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.26 -9.6 0.83 Allowed Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.561 1.073 . . . . 0.0 113.765 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.8 mm? 65.42 153.58 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.255 1.422 . . . . 0.0 113.732 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 44.1 p -153.66 -15.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.8 1.64 . . . . 0.0 109.611 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.05 67.51 5.21 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 125.124 1.369 . . . . 0.0 108.584 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.53 -28.28 1.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 1 C-N-CA 125.641 4.228 . . . . 0.0 116.73 -171.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 118.093 0.406 . . . . 0.0 111.362 -175.171 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.376 -3.324 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C4'-C3'-C2' 99.166 -3.534 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.351 -3.349 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.46 3.26 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.092 -3.608 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . 0.581 ' C5 ' ' NE2' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.895 3.695 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 1 O4'-C1'-N19 112.244 4.044 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.427 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 O4'-C1'-N19 110.939 2.739 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.427 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C5'-C4'-C3' 109.754 -3.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.92 3.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 O4'-C1'-N19 110.557 2.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O5'-C5'-C4' 113.069 2.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C3'-C2'-C1' 104.287 3.097 . 0.082 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 110.715 2.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.553 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C5'-C4'-C3' 111.548 -2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 1 C5'-C4'-C3' 108.079 -4.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.687 -3.013 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.057 -3.643 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.889 -2.811 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.708 -2.992 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.393 -3.307 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C4'-C3'-C2' 99.81 -2.89 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 tpp . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 105.4 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.425 HG21 ' N7 ' ' B' ' 12' ' ' ' A' . 4.5 mp -82.28 147.33 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -140.9 161.06 38.71 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -120.08 144.97 47.31 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -147.79 137.03 22.31 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.409 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -87.52 150.21 23.87 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.44 131.38 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.86 0.33 42.14 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.291 -0.727 . . . . 0.0 113.242 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -112.32 -176.66 2.97 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.537 1.169 . . . . 0.0 110.495 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -140.83 169.8 16.95 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.3 mt -143.99 165.07 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.242 1.817 . . . . 0.0 107.469 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -136.85 153.63 50.72 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.701 . . . . 0.0 112.36 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -141.91 144.1 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.312 1.045 . . . . 0.0 108.539 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.32 -140.27 40.1 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -130.25 10.73 5.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.483 0.713 . . . . 0.0 109.722 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.1 9.25 2.53 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.443 0.697 . . . . 0.0 111.902 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.95 146.21 34.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.08 0.854 . . . . 0.0 110.513 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -138.41 155.66 48.29 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.047 0.939 . . . . 0.0 108.469 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.72 147.36 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -143.9 120.9 11.37 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 22' ' ' ILE . 3.0 tp -76.61 93.84 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.44 -29.82 69.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.146 -0.346 . . . . 0.0 111.317 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.98 -170.17 34.8 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.678 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.72 164.43 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.87 96.48 2.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -115.8 7.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 108.368 -1.893 . . . . 0.0 108.368 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -103.93 0.98 30.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.116 0.458 . . . . 0.0 110.15 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -78.79 160.35 27.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -139.98 120.15 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -80.94 118.78 22.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -120.1 122.94 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.72 149.5 19.32 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.16 145.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -135.3 104.25 5.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.75 154.06 51.29 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.843 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.94 151.74 68.16 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.783 2.322 . . . . 0.0 110.256 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.28 -2.81 3.32 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.94 -11.96 59.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.23 1.012 . . . . 0.0 110.971 173.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -138.64 160.37 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.858 0.863 . . . . 0.0 109.556 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.66 157.07 16.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.946 0.403 . . . . 0.0 111.516 -175.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.25 133.16 3.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -157.15 167.23 30.99 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 122.722 0.409 . . . . 0.0 111.099 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -69.54 160.64 31.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 169.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.04 -23.58 65.9 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.187 -0.32 . . . . 0.0 110.786 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.54 -3.43 58.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.335 0.654 . . . . 0.0 111.866 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -118.57 -33.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 123.693 0.797 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -56.35 -38.85 71.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.001 -0.437 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.88 -21.05 66.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.44 -0.162 . . . . 0.0 111.017 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -87.02 -36.36 18.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.628 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.61 -18.54 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 118.536 0.607 . . . . 0.0 109.513 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -99.79 3.96 45.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.138 0.575 . . . . 0.0 110.925 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.76 -14.4 5.67 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.21 152.42 6.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.76 156.03 40.08 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.326 0.563 . . . . 0.0 110.542 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -142.44 -0.8 1.21 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.849 0.859 . . . . 0.0 110.455 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -152.23 60.59 3.59 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.933 0.893 . . . . 0.0 110.353 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 77.5 Cg_exo -51.93 169.47 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.874 3.049 . . . . 0.0 113.946 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 123.811 0.845 . . . . 0.0 112.687 -179.107 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C5'-C4'-C3' 111.19 -2.874 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.149 -3.551 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.098 -3.602 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.535 -3.165 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.896 -3.804 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.534 ' C5 ' ' NE2' ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.182 -3.518 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 111.847 3.647 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.604 3.404 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 110.038 -3.641 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.787 ' C2 ' HD12 ' C' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.651 2 O4'-C1'-N19 113.4 5.2 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C5'-C4'-C3' 110.148 -3.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 O5'-C5'-C4' 112.773 1.838 . 0.043 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C3'-C2'-C1' 104.312 3.124 . 0.195 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 O4'-C1'-N19 110.693 2.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.531 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C5'-C4'-C3' 112.063 -2.292 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 C5'-C4'-C3' 108.467 -4.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.718 -2.982 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 111.307 3.107 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.86 -2.84 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.488 -3.212 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.855 -2.845 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 99.907 -2.793 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.69 108.42 11.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.59 147.33 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.3 159.19 42.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -117.89 142.22 47.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.7 128.61 15.41 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.353 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -79.34 149.25 31.79 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -57.56 132.28 21.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 O-C-N 121.763 -0.586 . . . . 0.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 -0.4 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.969 -0.906 . . . . 0.0 112.903 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -108.85 -176.55 3.07 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.323 1.061 . . . . 0.0 110.664 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.3 m -139.69 167.52 21.91 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -171.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -143.64 165.7 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.287 1.835 . . . . 0.0 107.26 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.31 153.86 47.81 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.685 -0.635 . . . . 0.0 112.218 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.16 142.92 27.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 -140.68 37.22 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.41 12.5 5.47 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.614 0.766 . . . . 0.0 110.044 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -137.83 7.91 2.76 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.664 0.786 . . . . 0.0 111.909 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.28 146.43 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.279 0.945 . . . . 0.0 110.799 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -139.84 156.58 46.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.263 1.025 . . . . 0.0 108.254 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -136.0 147.12 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 55.6 m -142.78 123.3 14.01 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -78.74 93.62 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.45 -30.49 70.22 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -175.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.69 -170.07 34.62 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.407 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.96 162.32 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 122.558 0.343 . . . . 0.0 110.272 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -146.6 82.68 1.59 Allowed 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -111.86 3.44 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -171.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.23 -1.92 26.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.937 0.369 . . . . 0.0 110.426 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.534 ' NE2' ' C5 ' ' B' ' 3' ' ' ' U' . 70.7 mt-30 -78.58 155.52 29.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.5 t -142.71 118.81 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -78.5 118.94 21.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -121.14 123.35 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.96 149.85 19.17 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.2 145.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.3 105.09 5.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.56 156.16 52.94 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.948 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.17 151.73 55.4 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.864 2.376 . . . . 0.0 110.279 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.22 -5.79 5.6 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.219 -0.301 . . . . 0.0 110.563 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.72 -8.59 36.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.085 0.954 . . . . 0.0 111.213 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.65 160.33 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.234 0.614 . . . . 0.0 109.784 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.38 156.79 16.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 111.341 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 133.71 4.47 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -156.95 165.62 35.65 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.697 0.284 . . . . 0.0 111.696 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -67.15 155.58 38.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -65.31 -23.39 67.0 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.767 -0.583 . . . . 0.0 110.435 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.41 -2.85 54.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.305 0.642 . . . . 0.0 111.93 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . 0.787 HD12 ' C2 ' ' B' ' 7' ' ' ' C' . 25.4 mm -119.6 -35.71 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 124.252 1.021 . . . . 0.0 110.033 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -56.98 -37.44 71.61 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.975 -0.453 . . . . 0.0 110.852 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.57 -22.93 67.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.23 -0.293 . . . . 0.0 110.834 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -87.16 -35.03 18.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.211 0.604 . . . . 0.0 111.833 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.7 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.1 mp -63.31 -18.64 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 119.011 0.823 . . . . 0.0 109.074 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -100.28 5.59 44.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.614 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -125.55 -30.59 3.07 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 112.007 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLY . . . . . 0.425 ' C ' HD13 ' C' ' 55' ' ' LEU . . . 148.71 153.28 5.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' C' ' 51' ' ' ILE . 0.0 OUTLIER -160.24 168.68 24.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.086 0.47 . . . . 0.0 111.359 -175.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -145.0 0.88 0.96 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.481 0.712 . . . . 0.0 111.65 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.447 ' N ' ' CD ' ' C' ' 58' ' ' PRO . . . -65.1 -37.08 18.22 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.47 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' C' ' 57' ' ' ALA . 51.2 Cg_exo -57.93 -179.26 0.12 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.524 2.816 . . . . 0.0 113.188 171.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 122.972 0.509 . . . . 0.0 110.773 175.732 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C5'-C4'-C3' 111.563 -2.625 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.404 -3.296 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.238 -3.462 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.511 -3.189 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 98.943 -3.757 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 112.019 3.819 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.374 -3.326 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.443 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.201 3.001 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.443 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 109.752 -3.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 O4'-C1'-N19 111.904 3.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.681 2.481 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 P-O3'-C3' 122.007 1.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 C3'-C2'-C1' 104.445 3.273 . 0.088 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 110.883 2.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.544 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.816 -2.456 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 1 C5'-C4'-C3' 108.632 -4.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.762 -2.938 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.322 -3.378 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.866 -2.834 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.792 -2.908 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.206 3.006 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C4'-C3'-C2' 100.053 -2.647 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.85 -0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 104.29 9.45 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.86 147.33 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.112 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -141.34 155.84 45.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.6 p -115.61 141.06 48.57 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.05 128.16 15.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.87 149.8 32.37 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -56.59 138.11 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.076 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -3.85 58.42 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.812 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -104.3 -175.53 2.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.518 1.159 . . . . 0.0 110.353 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.54 167.77 21.37 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -172.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -144.16 165.38 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 125.97 1.708 . . . . 0.0 107.533 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.9 154.0 49.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.655 -0.653 . . . . 0.0 112.227 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.3 mt -142.31 144.7 24.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -139.25 41.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.35 10.69 5.31 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.662 0.785 . . . . 0.0 109.438 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -139.63 8.39 2.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.42 0.688 . . . . 0.0 111.997 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.26 145.74 35.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 119.081 0.855 . . . . 0.0 110.514 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -137.73 154.98 49.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -135.43 148.54 28.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -176.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.8 m -143.63 124.83 14.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -79.26 93.37 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.07 -32.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.884 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.37 -172.42 35.36 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.294 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.63 161.9 39.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 122.83 0.452 . . . . 0.0 110.448 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -150.08 105.5 3.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.47 0.34 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 -173.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -126.32 2.7 7.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.409 0.684 . . . . 0.0 110.506 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -73.93 160.44 31.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -141.36 124.74 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 28.5 mtm180 -90.06 125.06 35.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -127.57 127.96 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.3 148.68 18.79 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.65 144.86 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -135.75 103.99 5.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.14 155.37 54.81 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.169 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.64 152.51 59.33 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.676 2.251 . . . . 0.0 110.007 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.85 -3.55 5.26 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.471 0.177 . . . . 0.0 110.534 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.55 -8.25 45.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 111.27 172.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.1 160.67 29.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.157 0.583 . . . . 0.0 109.505 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.96 156.05 17.61 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 111.721 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.86 133.23 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -157.34 168.03 28.55 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.559 0.695 . . . . 0.0 112.803 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -66.86 149.89 49.95 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 167.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -58.63 -34.55 71.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.584 -0.698 . . . . 0.0 111.824 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.2 -12.12 60.04 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.3 -34.62 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 123.296 0.639 . . . . 0.0 109.611 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.32 -43.73 75.2 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 118.003 0.365 . . . . 0.0 110.76 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.85 -20.66 65.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 40.4 ttm180 -81.7 -37.64 27.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.971 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.07 -18.82 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -98.69 3.61 47.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.264 0.626 . . . . 0.0 111.472 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.99 -10.49 5.4 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.48 154.83 6.3 Favored Glycine 0 C--N 1.337 0.597 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' HA ' ' H42' ' D' ' 7' ' ' ' C' . 2.8 mm? -123.51 141.83 51.61 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.856 0.828 . . . . 0.0 111.011 -171.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.6 p -142.83 1.9 1.33 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.982 1.313 . . . . 0.0 109.626 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.21 76.33 7.09 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 125.005 1.322 . . . . 0.0 107.807 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.35 179.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 1 C-N-CA 125.72 4.28 . . . . 0.0 115.284 -176.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.577 1.151 . . . . 0.0 113.189 -177.635 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C4'-C3'-C2' 100.122 -2.578 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.445 -3.255 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.656 -3.044 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.605 -3.095 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 99.031 -3.669 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 O4'-C1'-N19 111.919 3.719 . 0.54 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 111.856 3.656 . 0.354 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.437 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C3'-C2'-C1' 104.044 2.826 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.437 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 C5'-C4'-C3' 109.926 -3.716 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.488 ' H42' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O4'-C1'-N19 111.948 3.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 112.096 3.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 P-O3'-C3' 121.688 1.656 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C3'-C2'-C1' 104.048 2.831 . 0.085 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 111.035 2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.47 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C5'-C4'-C3' 112.36 -2.093 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 1 C5'-C4'-C3' 108.276 -4.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.442 -3.258 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.095 -3.605 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C4'-C3'-C2' 99.982 -2.718 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.788 -2.912 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.38 -3.32 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C4'-C3'-C2' 100.085 -2.615 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 110.6 12.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.65 146.72 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.186 0.594 . . . . 0.0 109.598 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -140.46 158.86 43.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.6 p -122.65 143.61 49.66 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 110.018 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -155.77 161.83 40.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.881 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -99.82 164.56 11.97 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.92 140.22 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.732 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.15 -7.19 64.26 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 123.747 0.689 . . . . 0.0 112.718 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -86.01 -170.64 3.19 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.132 0.966 . . . . 0.0 112.798 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -150.43 157.75 43.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.928 0.891 . . . . 0.0 111.115 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mm -144.91 165.24 12.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.731 1.612 . . . . 0.0 107.849 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.66 151.89 51.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.681 0.673 . . . . 0.0 111.818 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -144.62 141.64 23.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.02 -138.92 44.33 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.57 10.34 5.17 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.8 8.82 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.324 0.65 . . . . 0.0 111.849 -174.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.71 144.57 36.98 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -141.09 155.76 46.09 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -131.05 149.32 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -174.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -134.74 147.49 50.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.41 90.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.25 -29.03 70.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.5 -169.4 33.36 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.394 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.99 162.85 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.022 0 C-N-CA 122.673 0.389 . . . . 0.0 109.977 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -151.3 106.69 3.34 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.29 -97.66 0.34 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -173.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -125.35 0.31 7.68 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.21 160.06 32.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.45 116.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -79.2 111.73 15.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.25 121.52 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.92 149.52 19.38 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -134.52 145.14 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -134.22 102.0 5.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.51 155.28 49.38 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.49 151.8 53.64 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.062 2.508 . . . . 0.0 110.425 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.89 -5.31 5.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.218 -0.301 . . . . 0.0 110.608 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -8.9 36.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.239 1.016 . . . . 0.0 111.429 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.11 160.52 29.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 123.641 0.776 . . . . 0.0 109.388 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.87 16.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 111.541 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.19 132.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -157.25 167.83 29.19 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.75 0.31 . . . . 0.0 111.025 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -70.87 160.21 33.22 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -66.06 -23.58 66.56 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.995 -0.441 . . . . 0.0 110.437 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.11 -2.89 57.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.415 0.686 . . . . 0.0 111.908 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.3 mm -119.31 -34.16 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 124.063 0.945 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.59 -38.6 72.24 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.921 0.328 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.06 -20.88 66.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.48 -0.137 . . . . 0.0 110.857 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.99 -37.39 17.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.61 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -61.25 -18.62 18.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.875 0.761 . . . . 0.0 109.408 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -100.16 3.85 44.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.603 0.761 . . . . 0.0 111.389 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -128.64 -13.04 4.83 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.38 152.67 6.1 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.488 ' HA ' ' H42' ' B' ' 7' ' ' ' C' . 2.9 mm? -123.87 143.99 50.02 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.571 0.685 . . . . 0.0 111.238 -171.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -144.04 2.16 1.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 109.3 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.76 72.47 7.29 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 124.682 1.193 . . . . 0.0 108.587 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.12 179.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.61 1 C-N-CA 125.584 4.189 . . . . 0.0 114.505 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 CA--C 1.534 0.33 0 C-N-CA 124.312 1.045 . . . . 0.0 112.908 179.489 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.468 -3.232 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.188 -3.512 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.364 -3.336 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.389 -3.311 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.207 -3.493 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.073 -3.627 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.746 -2.954 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.49 ' C4 ' H5'' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 111.829 3.629 OUTLIER-DELTA 0.173 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.404 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C5'-C4'-C3' 108.843 -4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.548 ' H42' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.112 -3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 110.546 2.346 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 O5'-C5'-C4' 113.146 2.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 C3'-C2'-C1' 104.608 3.453 . 0.205 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 O4'-C1'-N19 111.582 3.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.576 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 C5'-C4'-C3' 112.122 -2.252 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 1 C5'-C4'-C3' 108.433 -4.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.825 -2.875 . 0.08 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.009 -3.691 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.963 -2.737 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.74 -2.96 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 C4'-C3'-C2' 99.714 -2.986 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 110.791 2.591 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 tpp . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 108.89 11.82 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.81 144.65 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.01 134.57 26.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -92.01 147.05 23.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 1.9 tpm_? -150.31 141.67 23.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 8.9 tptm -90.82 151.56 21.12 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 m -57.4 135.4 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.46 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.22 -0.767 . . . . 0.0 112.851 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -114.89 -175.72 2.75 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.41 1.105 . . . . 0.0 110.74 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -141.38 170.61 15.41 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -144.36 165.45 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.346 1.859 . . . . 0.0 107.458 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -137.57 153.42 49.95 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.507 -0.745 . . . . 0.0 112.069 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.8 mt -142.97 142.62 25.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -141.14 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.95 11.36 5.58 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.308 0.643 . . . . 0.0 110.301 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.55 7.56 2.8 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.768 0.827 . . . . 0.0 111.615 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.52 147.7 33.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 CA-C-N 119.277 0.944 . . . . 0.0 110.274 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.2 m -139.83 154.46 47.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.23 149.14 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m -140.41 149.18 42.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.18 89.26 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 mt -65.13 -32.19 73.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.298 -173.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.4 -170.45 36.41 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.631 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.18 164.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 123.075 0.55 . . . . 0.0 109.752 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -152.75 86.97 1.27 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.92 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.57 0.16 35.94 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -75.78 160.19 30.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.153 0.501 . . . . 0.0 110.449 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -142.37 120.5 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 27.3 mtm180 -83.74 121.18 26.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 169.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.19 142.55 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.87 151.29 18.04 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.06 145.11 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.62 103.73 5.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.14 155.57 58.3 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.171 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.0 152.12 62.64 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.002 2.468 . . . . 0.0 110.346 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.41 -3.55 4.43 Favored 'General case' 0 CA--C 1.528 0.102 0 O-C-N 122.374 -0.204 . . . . 0.0 110.655 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.96 -11.2 55.92 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.193 0.997 . . . . 0.0 110.818 172.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.21 160.7 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.895 0.878 . . . . 0.0 109.594 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.24 157.24 17.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.977 0.418 . . . . 0.0 111.479 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.17 132.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -157.1 163.15 39.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.641 0.258 . . . . 0.0 111.635 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -64.47 161.76 16.57 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.4 -30.22 70.54 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -78.71 -9.01 59.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -112.13 -32.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 110.101 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.08 -37.15 71.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 117.777 0.262 . . . . 0.0 111.193 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.62 -20.88 66.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.085 -0.052 . . . . 0.0 110.984 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.26 -37.13 17.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.567 0.347 . . . . 0.0 111.334 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.8 mp -64.83 -17.22 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -101.63 5.08 41.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.694 0.797 . . . . 0.0 111.395 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.26 -23.97 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.518 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 137.68 151.82 5.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -154.03 -30.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -175.197 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.8 p 42.74 17.24 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -70.12 -29.05 1.52 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -175.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 88.5 Cg_exo -49.88 167.93 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.637 2.891 . . . . 0.0 114.554 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.87 0.868 . . . . 0.0 112.249 -178.807 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 100.072 -2.628 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.385 -3.315 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.636 -3.064 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.472 -3.228 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 98.906 -3.794 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . 0.522 ' C5 ' ' NE2' ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 111.969 3.769 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 98.849 -3.851 . 0.3 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.465 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.465 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 C5'-C4'-C3' 108.187 -4.876 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.552 ' H42' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C5'-C4'-C3' 110.971 -3.019 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.915 -2.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 P-O3'-C3' 122.029 1.941 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 0 C5'-C4'-C3' 111.47 -2.687 . 0.191 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 N19-C1'-C2' 110.046 -2.096 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 2 C5'-C4'-C3' 108.12 -4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C4'-C3'-C2' 99.829 -2.871 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.249 -3.451 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.794 -2.906 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.747 -2.953 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C4'-C3'-C2' 99.363 -3.337 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.874 -2.826 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.84 107.96 10.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.51 143.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.83 134.4 26.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -97.8 147.19 24.65 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.505 ' HE ' ' CG2' ' C' ' 22' ' ' ILE . 8.1 ptt180 -152.1 -178.0 6.51 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.771 173.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.83 153.14 46.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -173.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.76 124.18 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.997 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.8 3.45 30.23 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.475 -0.625 . . . . 0.0 112.677 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -110.86 -176.54 2.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.245 1.022 . . . . 0.0 111.628 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -149.03 167.59 25.42 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.971 0.508 . . . . 0.0 112.332 -174.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.467 HD12 HH11 ' C' ' 6' ' ' ARG . 10.8 mt -145.61 164.47 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.725 1.61 . . . . 0.0 107.855 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -130.7 153.53 48.89 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.386 0.612 . . . . 0.0 111.736 -175.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -142.99 139.6 27.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.19 -140.53 35.63 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -130.08 11.88 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.323 0.649 . . . . 0.0 110.462 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -137.32 7.98 2.88 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.647 0.779 . . . . 0.0 112.306 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.96 143.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.047 0.84 . . . . 0.0 110.577 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -139.84 154.36 47.3 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.43 149.26 32.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -140.41 153.15 46.22 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 122.871 0.468 . . . . 0.0 110.123 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 3.3 tp -112.4 97.76 6.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.92 -30.14 65.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.449 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.53 -169.83 35.05 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.08 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.77 165.75 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 123.036 0.534 . . . . 0.0 110.26 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.96 101.45 2.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.91 -111.69 4.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -170.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.402 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 2.0 mp0 -107.97 0.24 21.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 122.749 0.419 . . . . 0.0 111.183 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.522 ' NE2' ' C5 ' ' B' ' 3' ' ' ' U' . 74.6 mt-30 -79.45 157.44 27.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.9 t -143.07 118.92 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -78.91 114.67 18.04 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 mt -114.44 141.06 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.57 150.48 18.06 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -136.32 145.45 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -135.62 103.53 5.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.62 155.62 52.85 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.366 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.11 151.1 61.04 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.367 2.711 . . . . 0.0 110.25 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.51 -3.83 3.44 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.305 -0.247 . . . . 0.0 110.417 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.21 -11.36 57.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.957 0.903 . . . . 0.0 111.126 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.97 160.37 33.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 123.679 0.791 . . . . 0.0 109.663 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.31 156.59 16.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.731 0.301 . . . . 0.0 111.339 -175.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 131.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -157.1 164.11 38.24 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 122.816 0.446 . . . . 0.0 110.762 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.75 163.25 27.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -64.64 -24.74 67.68 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -172.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -86.69 -3.76 59.08 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.919 0.781 . . . . 0.0 112.166 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 mm -112.31 -33.65 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 C-N-CA 123.141 0.576 . . . . 0.0 109.896 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.89 -39.54 71.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.0 0.364 . . . . 0.0 110.962 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.43 -20.69 65.78 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.886 0.116 . . . . 0.0 110.948 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -86.76 -35.77 18.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.734 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp -62.17 -18.67 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.67 0.668 . . . . 0.0 109.268 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -99.42 5.42 46.3 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.503 0.721 . . . . 0.0 111.22 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.8 -13.24 3.28 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.33 152.09 6.07 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.552 ' HA ' ' H42' ' B' ' 7' ' ' ' C' . 2.8 mm? -124.17 145.64 49.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.691 0.746 . . . . 0.0 110.983 -171.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 53.9 p -144.06 -0.53 1.01 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.458 1.103 . . . . 0.0 110.214 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.465 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -150.93 55.9 1.87 Allowed Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 124.028 0.931 . . . . 0.0 110.384 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 75.2 Cg_exo -47.54 -32.62 16.1 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 124.122 3.215 . . . . 0.0 115.518 -176.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -173.951 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C4'-C3'-C2' 99.928 -2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.364 -3.336 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.364 -3.336 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.444 -3.256 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 98.97 -3.73 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 111.893 3.693 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.358 -3.342 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 O4'-C1'-N19 112.298 4.098 . 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.239 -3.461 . 0.041 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C5'-C4'-C3' 110.046 -3.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 110.9 2.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 P-O3'-C3' 121.874 1.811 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 C3'-C2'-C1' 104.368 3.187 . 0.145 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 110.757 2.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.515 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-C3' 112.205 -2.197 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 1 C5'-C4'-C3' 108.206 -4.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C4'-C3'-C2' 99.728 -2.972 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.195 -3.505 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.743 -2.957 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.654 -3.046 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.436 -3.264 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 100.03 -2.67 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.23 111.29 15.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.05 147.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.079 0.552 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.75 158.42 43.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -122.27 138.54 54.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.417 HH21 ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -153.96 144.18 22.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.466 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -82.74 159.93 22.44 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.268 1.027 . . . . 0.0 108.961 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.37 145.81 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.568 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 -2.22 86.23 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.901 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -97.08 -171.93 2.33 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.636 1.218 . . . . 0.0 112.128 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.417 ' HA ' HH21 ' A' ' 6' ' ' ARG . 69.5 m -142.35 158.3 43.86 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.48 0.712 . . . . 0.0 111.256 -169.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.8 mm -146.7 165.2 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.6 1.56 . . . . 0.0 107.203 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -139.75 153.4 47.17 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.975 0.807 . . . . 0.0 112.51 -175.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.47 146.36 20.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.617 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 -142.39 39.03 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -128.43 10.56 6.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.595 0.758 . . . . 0.0 109.525 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.72 10.19 1.8 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.59 0.756 . . . . 0.0 111.782 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.83 145.39 35.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.093 0.86 . . . . 0.0 110.883 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 m -137.35 154.23 50.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -132.73 148.24 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -135.79 154.79 51.1 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -118.19 96.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.61 -29.35 69.37 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.509 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.85 -170.99 33.16 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.216 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.13 162.28 40.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.113 0 C-N-CA 122.661 0.384 . . . . 0.0 110.412 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -150.78 105.47 3.28 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.36 -97.08 0.36 Allowed Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 -173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.37 -0.71 6.96 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 123.179 0.592 . . . . 0.0 110.864 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.542 ' NE2' ' C5 ' ' D' ' 3' ' ' ' U' . 66.0 mt-30 -72.9 154.38 40.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 172.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.47 114.16 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -77.93 101.98 7.1 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 171.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -99.31 146.44 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.37 150.2 16.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' C' ' 1' ' ' MET . 68.2 mt -135.13 144.89 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -135.29 102.0 5.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.58 153.96 55.63 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.118 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.7 152.09 64.17 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.995 2.464 . . . . 0.0 110.421 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.54 -3.11 4.03 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.332 -0.23 . . . . 0.0 110.416 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.59 -11.87 59.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.155 0.982 . . . . 0.0 110.732 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.94 161.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.094 0.958 . . . . 0.0 109.317 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.84 157.53 17.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.859 0.362 . . . . 0.0 111.324 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.13 136.26 7.47 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -157.91 164.43 36.89 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.457 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.444 HH12 ' N2 ' ' D' ' 5' ' ' ' G' . 25.3 ptt180 -74.44 163.23 28.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 169.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.09 -23.82 66.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.37 0.1 56.57 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.333 0.515 . . . . 0.0 111.839 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -118.29 -33.85 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 123.712 0.805 . . . . 0.0 109.458 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.17 -46.72 72.4 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.217 -0.302 . . . . 0.0 110.72 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -61.34 -24.24 66.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.01 0.524 . . . . 0.0 111.464 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.99 -43.13 55.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.555 ' HA ' HD11 ' A' ' 55' ' ' LEU . 3.1 mp -65.06 -20.63 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -85.8 -8.33 58.18 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.385 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.79 -15.35 32.56 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.2 0.6 . . . . 0.0 109.434 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 81.17 138.61 2.38 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.22 1.39 . . . . 0.0 112.42 176.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.65 HD23 ' H ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -176.7 -169.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.201 1.0 . . . . 0.0 109.582 -176.661 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 m -142.36 52.38 1.45 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.65 ' H ' HD23 ' A' ' 55' ' ' LEU . . . 37.68 62.48 3.77 Favored Pre-proline 0 C--N 1.342 0.254 0 C-N-CA 124.253 1.021 . . . . 0.0 109.504 -169.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.78 161.87 0.8 Allowed 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.449 3.432 . . . . 0.0 116.104 -167.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.782 -178.678 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C5'-C4'-C3' 111.58 -2.613 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.296 -3.404 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 99.6 -3.1 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 99.543 -3.157 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 98.839 -3.861 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.69 3.49 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.277 -3.423 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.416 ' N3 ' " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.831 3.631 . 0.102 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.073 -3.627 . 0.115 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.355 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C3'-C2'-C1' 103.495 2.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 O5'-C5'-C4' 113.111 2.079 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.958 0 C3'-C2'-C1' 104.527 3.364 . 0.179 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O4'-C1'-N19 111.469 3.269 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.573 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 111.848 -2.434 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 1 C5'-C4'-C3' 108.375 -4.75 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.592 -3.108 . 0.237 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.053 -3.647 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.003 -2.697 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.817 -2.883 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.62 -3.08 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.945 -2.755 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 45.6 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.754 -0.165 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.69 110.89 14.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 174.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.28 145.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.322 0.649 . . . . 0.0 109.628 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.96 134.62 26.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -93.82 145.66 24.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.596 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 1.3 tpm_? -149.16 131.15 15.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.426 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.4 tptm -80.98 147.69 30.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -55.56 138.39 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.151 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.67 -9.39 55.46 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.062 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -101.3 -174.46 2.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.369 1.085 . . . . 0.0 111.151 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.44 169.67 17.24 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -145.94 165.44 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 107.64 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -138.63 153.66 48.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.509 -0.745 . . . . 0.0 112.084 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -143.21 144.78 23.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.5 -139.84 44.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.98 10.26 5.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.564 0.745 . . . . 0.0 109.373 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -141.87 8.92 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.742 0.817 . . . . 0.0 111.995 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.7 147.01 33.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 119.132 0.878 . . . . 0.0 111.098 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -138.78 155.22 48.36 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.368 1.067 . . . . 0.0 108.226 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.88 147.06 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -142.72 119.63 11.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -76.51 91.19 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.87 -31.19 72.3 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.053 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.42 -170.29 33.96 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.866 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.06 165.2 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.604 0.361 . . . . 0.0 110.475 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -153.21 105.06 2.85 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.26 -96.66 0.41 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -126.1 1.17 7.2 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 123.498 0.719 . . . . 0.0 110.587 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -72.62 160.61 31.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.95 120.61 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.416 ' HD3' ' H62' ' B' ' 12' ' ' ' A' . 29.2 mtm180 -83.77 120.77 26.44 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 170.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -123.9 122.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.77 147.2 18.51 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 108.104 -1.998 . . . . 0.0 108.104 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.14 144.33 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -135.56 105.1 6.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.98 156.33 51.25 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.098 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.34 152.83 55.72 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.064 2.51 . . . . 0.0 110.007 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.37 -5.08 6.53 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.025 -0.422 . . . . 0.0 110.407 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -68.14 -8.02 34.88 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.721 0.809 . . . . 0.0 110.893 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.12 160.66 29.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 C-N-CA 123.601 0.761 . . . . 0.0 109.615 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.61 16.64 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.694 -176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 130.02 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -157.56 171.26 20.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 112.001 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -72.94 162.33 29.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.21 -34.26 76.13 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.027 -0.421 . . . . 0.0 110.773 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -78.83 -9.75 59.57 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -106.58 -32.49 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 C-N-CA 123.395 0.678 . . . . 0.0 109.659 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.57 -41.9 77.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.213 -0.305 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.35 -21.18 66.11 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.349 -0.22 . . . . 0.0 111.323 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -84.39 -36.12 22.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.332 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.26 -18.59 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -98.92 3.81 47.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.315 0.646 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.49 -13.47 4.31 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.55 5.71 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -126.74 160.14 31.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.427 -0.454 . . . . 0.0 111.225 -172.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -142.56 -0.02 1.25 Allowed 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.991 0.916 . . . . 0.0 110.778 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.451 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -152.27 59.92 3.25 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 123.254 0.621 . . . . 0.0 110.554 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 56.5 Cg_exo -53.58 173.47 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.871 3.047 . . . . 0.0 113.801 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.44 0.696 . . . . 0.0 112.361 -179.73 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C5'-C4'-C3' 111.302 -2.798 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C4'-C3'-C2' 99.224 -3.476 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.615 -3.085 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.339 -3.361 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.093 -3.607 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . 0.542 ' C5 ' ' NE2' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 O4'-C1'-N19 111.667 3.467 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.726 3.526 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.446 " H2'" ' C8 ' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 112.151 3.951 . 0.088 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.446 ' C8 ' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 99.718 -2.982 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.472 ' H42' ' HG ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C5'-C4'-C3' 109.888 -3.741 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C3'-C2'-C1' 103.806 2.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O5'-C5'-C4' 112.924 1.946 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C3'-C2'-C1' 104.27 3.077 . 0.113 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 110.652 2.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.55 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C5'-C4'-C3' 111.849 -2.434 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 C5'-C4'-C3' 108.266 -4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.799 -2.901 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.394 -3.306 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 100.033 -2.667 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.601 -3.099 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.753 -2.947 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.96 -2.74 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 tpp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.642 -0.133 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.36 108.79 11.15 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.75 146.44 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.144 0.578 . . . . 0.0 109.446 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -141.93 158.97 43.15 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 174.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 p -120.89 141.61 50.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 3.3 mmp_? -144.69 134.4 23.54 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -76.62 154.08 34.69 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 m -59.58 131.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 118.617 -1.233 . . . . 0.0 110.118 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.64 -16.03 37.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.583 0.611 . . . . 0.0 112.419 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -84.76 -178.7 6.93 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.027 0.913 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -143.26 167.42 22.17 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.451 0.643 . . . . 0.0 112.507 -174.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' C' ' 44' ' ' ARG . 29.2 mm -142.98 165.2 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.364 1.865 . . . . 0.0 107.627 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.11 153.97 46.87 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.628 -0.67 . . . . 0.0 112.297 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -143.37 142.96 25.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.07 0.948 . . . . 0.0 108.701 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -140.74 41.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.38 10.8 5.31 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.279 0.632 . . . . 0.0 109.858 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -138.99 8.29 2.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.736 0.815 . . . . 0.0 112.024 -177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.63 146.24 34.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 118.782 0.719 . . . . 0.0 110.605 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.0 m -138.15 155.11 49.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.339 1.055 . . . . 0.0 108.233 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mm -136.3 148.5 27.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.6 m -144.01 129.8 19.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -82.48 93.04 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.96 -30.62 71.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.07 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.25 -169.18 33.72 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.811 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.24 162.42 39.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.776 0.43 . . . . 0.0 110.191 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -152.9 94.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.55 -123.97 9.37 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 -170.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.22 2.0 45.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -79.63 160.36 26.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.06 120.12 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 37.8 mtm180 -79.51 117.41 20.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 171.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.08 128.95 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.07 150.13 16.82 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -134.05 145.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.66 103.46 5.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.92 154.02 54.54 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 123.867 0.867 . . . . 0.0 108.7 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -66.57 150.47 83.91 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.782 2.321 . . . . 0.0 109.39 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.66 ' HE2' ' N3 ' ' D' ' 9' ' ' ' G' . 0.3 OUTLIER -63.73 -5.86 4.78 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.176 -0.327 . . . . 0.0 110.208 177.106 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.96 -10.73 41.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.921 1.288 . . . . 0.0 111.531 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -136.48 159.39 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.15 153.72 17.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.323 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG12 ' N1 ' ' D' ' 9' ' ' ' G' . 1.2 p -153.41 132.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -155.86 164.14 38.9 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 122.897 0.479 . . . . 0.0 110.017 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -77.52 160.24 28.76 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.1 -24.16 66.03 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -169.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -85.98 -5.6 59.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.241 0.928 . . . . 0.0 111.965 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -111.3 -33.85 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.31 0.644 . . . . 0.0 109.715 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.7 -40.5 72.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.054 0.388 . . . . 0.0 111.163 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -64.13 -20.48 66.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.232 0.213 . . . . 0.0 111.145 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -85.88 -36.58 19.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.142 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.15 -18.8 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -99.56 4.29 45.81 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.312 0.645 . . . . 0.0 111.409 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.92 -13.46 4.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.94 149.94 5.48 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HA ' ' H42' ' D' ' 7' ' ' ' C' . 2.8 mm? -122.7 161.89 23.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.345 0.573 . . . . 0.0 111.056 -172.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -142.55 1.82 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.217 1.007 . . . . 0.0 110.501 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -149.68 58.96 3.56 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 123.356 0.663 . . . . 0.0 110.699 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 52.2 Cg_exo -56.04 178.2 0.12 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.893 3.062 . . . . 0.0 113.441 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 123.626 0.77 . . . . 0.0 111.896 176.114 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.569 -3.131 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.42 -3.28 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.399 -3.301 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C4'-C3'-C2' 99.557 -3.143 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 98.812 -3.888 . 0.636 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.827 3.627 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 99.196 -3.504 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' G' . . . . . 0.432 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 O4'-C1'-N19 111.392 3.192 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' A' . . . . . 0.432 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 C5'-C4'-C3' 109.263 -4.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C3'-C2'-C1' 104.015 2.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 P-O3'-C3' 122.015 1.929 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 104.438 3.264 . 0.177 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 110.966 2.766 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' A' . . . . . 0.542 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.481 -2.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.397 1 C5'-C4'-C3' 108.722 -4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.522 -3.178 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.18 -3.52 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 100.033 -2.667 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.685 -3.015 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.641 -3.059 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 100.223 -2.477 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.33 106.11 9.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.41 144.87 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.363 0.665 . . . . 0.0 109.258 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.22 134.56 27.82 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -93.24 147.87 22.53 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -149.74 135.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.44 149.42 25.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.25 129.05 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.0 0.56 35.94 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.999 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -112.92 -174.91 2.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.495 1.148 . . . . 0.0 110.687 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -140.82 170.49 15.65 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.0 mt -144.35 165.36 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.643 1.977 . . . . 0.0 107.691 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -139.75 153.74 47.25 Favored 'General case' 0 C--N 1.338 0.093 0 O-C-N 121.707 -0.621 . . . . 0.0 112.252 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -143.25 142.73 25.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.39 -141.31 34.9 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.73 11.23 5.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.356 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -136.58 7.59 3.04 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.69 0.796 . . . . 0.0 111.881 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.81 146.67 33.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 CA-C-N 119.2 0.909 . . . . 0.0 110.594 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -138.42 155.59 48.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -136.54 149.23 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -141.53 151.21 43.05 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.02 90.17 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.04 -31.19 72.3 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.042 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.02 34.33 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.718 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.97 163.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.838 0.455 . . . . 0.0 110.151 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.0 t -153.24 107.2 3.06 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -96.72 0.3 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -126.12 -0.33 7.14 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.278 0.631 . . . . 0.0 110.449 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.22 160.64 32.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.09 120.21 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -80.97 116.51 20.97 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -117.34 136.86 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.81 149.96 18.42 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.5 145.04 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -136.59 103.57 5.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.47 155.71 60.58 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.523 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.99 152.03 62.59 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.14 2.56 . . . . 0.0 110.144 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.71 -2.12 3.36 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.202 -0.311 . . . . 0.0 110.755 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.99 -11.3 58.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.91 0.884 . . . . 0.0 110.781 172.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.37 160.72 31.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.7 0.8 . . . . 0.0 109.472 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.46 157.51 16.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.13 135.63 7.92 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -157.8 169.78 23.83 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.383 0.273 . . . . 0.0 111.248 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.423 ' HA ' HD13 ' A' ' 12' ' ' ILE . 72.9 mtm-85 -72.02 157.55 37.6 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 170.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.88 -23.3 67.19 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.679 -0.638 . . . . 0.0 110.731 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.43 -4.39 58.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.327 0.651 . . . . 0.0 111.528 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mm -115.45 -35.04 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.288 0.635 . . . . 0.0 110.186 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.55 -37.61 70.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.997 -0.44 . . . . 0.0 110.975 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.76 -20.48 65.96 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 121.958 0.103 . . . . 0.0 110.893 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.14 -35.54 21.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -67.69 -23.26 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -94.41 2.48 55.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.507 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -8.26 55.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.96 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLY . . . . . 0.421 ' N ' HD13 ' C' ' 55' ' ' LEU . . . 139.63 20.15 0.41 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 117.014 1.566 . . . . 0.0 117.014 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.589 HD13 ' N ' ' C' ' 55' ' ' LEU . 0.0 OUTLIER -155.66 -164.81 1.82 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.152 1.476 . . . . 0.0 111.923 -167.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -118.82 -31.02 4.92 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.528 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -173.03 -41.31 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 C-N-CA 124.884 1.274 . . . . 0.0 111.054 168.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.528 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 40.5 Cg_exo -60.15 176.02 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.323 2.682 . . . . 0.0 113.153 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.765 177.368 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.421 -3.279 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.338 -3.362 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.671 -3.029 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C4'-C3'-C2' 99.435 -3.265 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 C4'-C3'-C2' 98.632 -4.068 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 98.823 -3.877 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.175 -3.525 . 0.332 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 5' ' ' ' G' . . . . . 0.455 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 O4'-C1'-N19 111.261 3.061 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ' A' . . . . . 0.455 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C5'-C4'-C3' 109.681 -3.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 7' ' ' ' C' . . . . . 0.421 ' H42' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.584 3.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.652 2.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ' G' . . . . . 0.66 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-O4' 112.251 2.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C3'-C2'-C1' 104.227 3.03 . 0.106 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 110.595 2.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ' A' . . . . . 0.522 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C5'-C4'-C3' 111.302 -2.799 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 1 C5'-C4'-C3' 108.503 -4.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C4'-C3'-C2' 99.307 -3.393 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.55 -3.15 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.979 -2.721 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.871 -2.829 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.409 -3.291 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C4'-C3'-C2' 100.022 -2.678 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.499 -0.185 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.72 104.96 9.31 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.45 148.13 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.09 163.81 31.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -125.35 138.99 54.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.601 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -146.55 133.72 20.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.128 -176.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' CD ' ' HG3' ' C' ' 29' ' ' GLN . 2.8 tptm -80.66 148.1 30.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.37 135.78 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.873 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.57 -5.98 44.64 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.016 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -108.06 -174.59 2.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.692 1.246 . . . . 0.0 110.753 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m -140.02 170.3 16.1 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -144.49 165.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.446 1.898 . . . . 0.0 107.471 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -138.1 153.89 49.25 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.463 -0.773 . . . . 0.0 112.12 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -142.27 143.72 25.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.85 40.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -129.76 10.79 5.6 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.316 0.646 . . . . 0.0 109.549 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.53 9.14 2.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.737 0.815 . . . . 0.0 111.736 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.73 147.02 32.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 119.14 0.882 . . . . 0.0 110.544 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -138.38 154.76 48.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 108.429 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.61 148.99 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -144.33 126.0 15.1 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -79.87 89.37 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -64.69 -30.47 71.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.297 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.609 174.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.37 163.47 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 122.795 0.438 . . . . 0.0 110.255 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -153.66 106.82 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.69 -97.35 0.41 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -126.14 -0.49 7.12 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.281 0.632 . . . . 0.0 110.677 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.88 160.42 32.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.2 119.51 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -79.31 119.83 22.92 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.84 124.58 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.32 148.48 18.89 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' C' ' 1' ' ' MET . 61.9 mt -136.19 145.04 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -136.28 103.32 5.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.28 57.76 Favored Pre-proline 0 N--CA 1.45 -0.432 0 C-N-CA 123.829 0.852 . . . . 0.0 108.873 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.43 151.04 64.98 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.109 2.539 . . . . 0.0 110.096 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.21 -2.09 2.72 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.113 -0.367 . . . . 0.0 110.48 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.92 -11.29 60.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.326 1.051 . . . . 0.0 110.733 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.16 160.49 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.663 0.785 . . . . 0.0 109.409 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.75 157.29 16.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.377 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.36 133.79 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -156.6 170.72 21.73 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -72.77 160.24 32.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.12 -23.37 65.81 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.144 -0.347 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.69 -3.31 58.48 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.058 0.543 . . . . 0.0 111.654 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -119.03 -33.54 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 123.735 0.814 . . . . 0.0 110.137 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -56.71 -36.97 70.29 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 122.188 -0.32 . . . . 0.0 110.97 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -65.22 -20.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.475 -0.141 . . . . 0.0 111.147 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.08 -35.67 18.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.678 0.391 . . . . 0.0 111.396 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.4 110.63 13.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.82 146.48 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -141.03 159.92 41.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -118.62 142.48 47.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.61 127.99 14.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.096 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -76.48 150.81 36.6 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.3 140.15 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.795 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.55 -2.82 62.92 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.839 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -105.88 -175.19 2.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.489 1.144 . . . . 0.0 110.507 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -139.83 168.15 20.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -141.75 165.49 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 126.383 1.873 . . . . 0.0 107.537 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -140.29 153.54 46.51 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.516 -0.74 . . . . 0.0 112.683 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 108.744 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.62 -140.24 40.99 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.74 10.71 5.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.655 0.782 . . . . 0.0 109.681 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.67 8.95 1.97 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.491 0.716 . . . . 0.0 111.986 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 144.98 36.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 CA-C-N 119.205 0.912 . . . . 0.0 110.215 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -137.56 156.03 48.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -136.87 147.99 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.5 m -142.09 125.3 16.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -80.33 91.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -66.09 -31.4 72.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.932 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.0 -172.86 35.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.945 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.59 160.64 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 122.718 0.407 . . . . 0.0 110.444 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 p -153.14 113.93 4.09 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.79 -100.56 0.45 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -172.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.35 -0.48 7.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.866 0.466 . . . . 0.0 110.447 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.4 ' HG3' ' CD ' ' A' ' 7' ' ' LYS . 25.6 mt-30 -74.09 154.93 38.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -141.87 119.92 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 53.0 mtt85 -78.98 118.47 21.01 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 mt -121.58 119.54 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.44 151.9 20.03 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -136.1 145.01 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.48 104.7 5.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.3 154.84 50.07 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.732 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.12 151.93 61.77 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.883 2.389 . . . . 0.0 110.141 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.71 -2.28 3.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.338 -0.226 . . . . 0.0 110.522 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.13 -11.48 59.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.253 1.021 . . . . 0.0 110.919 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.12 160.6 32.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.918 0.887 . . . . 0.0 109.397 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 156.79 17.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.38 133.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -158.16 167.54 29.54 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 122.684 0.394 . . . . 0.0 110.975 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -69.75 160.54 31.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -67.05 -23.52 65.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.85 -5.45 59.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.894 0.478 . . . . 0.0 111.919 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 mm -115.52 -35.18 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 C-N-CA 123.749 0.82 . . . . 0.0 110.075 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -54.95 -37.72 66.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.931 0.332 . . . . 0.0 111.183 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.44 -20.56 66.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.098 0.159 . . . . 0.0 111.287 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -87.23 -31.54 20.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.589 0.356 . . . . 0.0 111.549 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.403 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 119.675 -0.202 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.65 109.18 11.81 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.3 145.34 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.81 134.97 25.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -93.62 143.69 26.07 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.621 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -146.41 129.38 16.4 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -78.62 146.38 34.15 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -56.41 123.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.55 -6.81 16.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.237 -0.757 . . . . 0.0 113.396 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -108.29 -174.69 2.58 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.844 1.322 . . . . 0.0 111.538 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 m -140.48 169.88 16.84 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -171.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.61 164.78 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.363 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -136.76 153.56 50.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.651 0.66 . . . . 0.0 111.689 -175.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -142.76 138.97 28.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.099 0.96 . . . . 0.0 108.73 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.89 -139.32 40.52 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.26 10.35 5.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.353 0.661 . . . . 0.0 110.176 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -138.0 7.91 2.72 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.327 0.651 . . . . 0.0 111.724 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.54 145.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.977 0.808 . . . . 0.0 110.592 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.2 m -138.69 154.74 48.61 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -133.95 148.93 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -142.08 144.51 33.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.74 90.69 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.55 -30.78 71.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.056 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.46 -167.58 33.54 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.25 167.22 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.226 0.536 . . . . 0.0 110.369 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -145.85 60.84 1.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.988 1.315 . . . . 0.0 107.864 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -114.42 3.83 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.461 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -94.67 -2.63 50.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.97 160.71 23.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -138.82 123.76 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -82.26 116.55 21.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 171.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -118.34 136.54 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.94 148.63 17.79 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.8 mt -134.55 145.16 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -136.4 103.67 5.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.59 155.88 56.63 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.779 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.81 152.07 57.89 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.529 2.152 . . . . 0.0 110.248 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.55 -4.39 5.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.052 -0.405 . . . . 0.0 110.47 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.07 -9.28 44.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.298 1.039 . . . . 0.0 111.332 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.87 160.65 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.585 0.754 . . . . 0.0 109.28 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.25 156.98 17.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 111.856 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.41 135.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -157.02 167.71 29.64 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 111.558 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -68.01 154.26 41.99 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 169.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.11 -23.85 67.26 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.562 0.619 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.04 -4.4 56.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.851 0.461 . . . . 0.0 111.742 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.24 -35.24 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 110.23 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -56.26 -37.05 69.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 117.89 0.314 . . . . 0.0 111.146 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.42 -20.68 66.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.483 -0.136 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -86.72 -36.19 18.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.551 0.34 . . . . 0.0 111.003 -177.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 107.86 11.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.77 147.18 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -139.46 157.9 45.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -118.86 139.45 51.6 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.61 129.36 16.17 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.606 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.461 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 2.7 tptm -78.77 149.16 32.71 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.17 130.68 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.06 0.05 41.39 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.979 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -111.22 -176.38 2.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.323 1.062 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -140.64 169.76 17.05 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.39 165.33 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 126.142 1.777 . . . . 0.0 107.41 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -138.79 153.95 48.44 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.498 -0.751 . . . . 0.0 112.391 -176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -142.9 143.31 25.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.976 0.91 . . . . 0.0 108.853 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.25 -140.56 42.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.62 10.12 5.58 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.603 0.761 . . . . 0.0 109.702 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.73 9.7 1.99 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.393 0.677 . . . . 0.0 112.101 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.39 146.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.2 0 CA-C-N 119.045 0.839 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -137.43 154.24 49.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -134.46 149.1 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -141.46 150.86 42.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.66 88.25 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.13 -30.83 71.9 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.208 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.55 -168.46 33.75 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.945 175.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.93 161.83 40.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.0 p -153.5 98.23 2.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.62 -125.34 11.47 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -99.02 1.52 45.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.64 160.63 26.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -140.86 117.27 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -77.66 111.55 13.56 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -109.34 145.4 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.71 16.94 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -137.1 145.37 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -136.88 104.16 5.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.09 155.01 58.66 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.98 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 151.05 67.78 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.759 2.306 . . . . 0.0 110.198 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.12 -2.59 2.95 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.369 -0.207 . . . . 0.0 110.616 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.93 -11.34 58.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.307 1.043 . . . . 0.0 110.913 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 160.51 30.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 123.709 0.803 . . . . 0.0 109.526 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.53 156.18 17.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.13 132.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -157.62 166.84 31.81 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 122.389 0.275 . . . . 0.0 111.029 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.11 160.69 28.47 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -66.68 -23.72 66.17 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.032 -0.417 . . . . 0.0 110.519 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -85.85 -5.56 59.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.224 0.609 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.5 mm -114.22 -35.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 123.586 0.755 . . . . 0.0 109.875 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -54.94 -39.27 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.93 0.332 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.26 -20.72 66.55 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.89 -32.65 21.54 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.685 0.394 . . . . 0.0 111.65 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.404 HD12 ' N ' ' C' ' 51' ' ' ILE . 2.6 mp . . . . . 0 CA--C 1.533 0.319 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.3 tpp . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.829 -0.129 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.68 111.78 14.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.65 145.74 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.149 0.58 . . . . 0.0 109.692 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -143.13 134.74 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -90.2 146.45 24.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -149.52 131.15 14.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.977 -0.452 . . . . 0.0 110.65 178.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -80.29 147.7 31.04 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.8 m -56.61 127.29 15.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.24 -4.69 26.83 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.192 -0.782 . . . . 0.0 113.063 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.0 -174.73 2.54 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.665 1.233 . . . . 0.0 111.394 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -140.41 171.35 14.26 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -144.35 165.15 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.452 1.901 . . . . 0.0 107.253 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -136.82 153.76 50.71 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.907 0.776 . . . . 0.0 112.799 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -142.79 142.42 26.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.201 1.0 . . . . 0.0 108.375 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -140.8 34.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.08 11.38 5.51 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.13 0.572 . . . . 0.0 110.168 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -137.31 8.38 2.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.599 0.759 . . . . 0.0 111.771 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.74 146.85 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 119.28 0.946 . . . . 0.0 110.858 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -139.32 154.98 47.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -134.23 149.27 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 m -142.18 151.11 41.88 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.35 91.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.11 -30.41 70.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.149 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.36 -171.1 34.6 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.264 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -135.31 164.33 33.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 122.626 0.371 . . . . 0.0 110.532 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -153.55 109.03 3.22 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.91 -98.01 0.33 Allowed Glycine 0 C--N 1.333 0.41 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.13 3.5 7.17 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 110.474 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.402 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 16.6 mt-30 -74.14 160.27 31.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.91 118.78 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -81.4 119.22 23.42 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -119.35 140.06 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 149.07 18.67 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' C' ' 1' ' ' MET . 63.0 mt -134.92 144.4 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.54 103.68 5.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.12 155.71 58.35 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.162 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.19 151.48 60.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.869 2.379 . . . . 0.0 110.037 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.39 -5.03 6.46 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.238 -0.289 . . . . 0.0 110.401 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -67.35 -8.59 33.78 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.4 1.08 . . . . 0.0 111.39 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.67 161.42 30.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.484 0.713 . . . . 0.0 109.433 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.2 156.93 17.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 111.5 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.13 132.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -157.16 165.25 36.52 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtp-105 -64.86 154.29 37.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.1 -23.95 67.51 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.88 -0.512 . . . . 0.0 112.288 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.5 -8.41 54.91 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.223 0.465 . . . . 0.0 111.717 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -102.76 -35.48 3.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 123.376 0.67 . . . . 0.0 109.728 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.96 -43.15 73.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.856 0.298 . . . . 0.0 110.661 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -64.01 -20.41 65.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.051 0.14 . . . . 0.0 111.061 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -84.89 -36.23 21.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.194 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.056 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.8 tpp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 119.999 -0.048 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 110.0 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 176.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.23 145.12 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.38 135.07 26.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -96.8 147.08 24.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.11 161.81 41.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.49 174.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.402 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 2.5 tptm -103.26 152.6 21.32 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -56.21 131.12 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.487 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.99 -7.92 33.3 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.174 -0.792 . . . . 0.0 113.682 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -98.75 -179.1 4.19 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.813 1.307 . . . . 0.0 112.562 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m -139.84 166.07 25.62 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mt -144.11 165.4 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 126.298 1.839 . . . . 0.0 107.959 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.09 153.08 52.15 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-O 121.511 0.672 . . . . 0.0 112.383 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.22 143.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 124.625 1.17 . . . . 0.0 108.055 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.52 -140.49 36.96 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -130.25 10.67 5.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.455 0.702 . . . . 0.0 110.177 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -137.41 9.26 2.92 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.614 0.766 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.56 146.72 33.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.089 0.859 . . . . 0.0 110.69 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -139.43 155.62 47.49 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -133.75 149.22 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -140.29 152.1 45.61 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -112.2 86.11 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.46 -28.54 69.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.81 -168.82 32.92 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.723 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.8 163.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 122.723 0.409 . . . . 0.0 110.033 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -152.65 89.24 1.39 Allowed 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.29 -120.53 7.15 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.88 1.72 43.14 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 117.12 0.46 . . . . 0.0 109.84 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.4 160.5 26.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -140.65 118.32 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -80.14 113.16 18.11 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.19 142.34 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 149.56 18.63 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.3 mt -134.73 144.94 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -136.41 103.34 5.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.72 155.22 59.91 Favored Pre-proline 0 N--CA 1.454 -0.269 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.114 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.74 152.04 58.27 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.716 2.277 . . . . 0.0 109.71 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.92 -4.26 6.63 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.291 -0.255 . . . . 0.0 110.538 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.7 -9.05 40.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.338 1.055 . . . . 0.0 110.976 171.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.93 160.63 29.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 123.693 0.797 . . . . 0.0 109.454 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.83 156.6 17.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.277 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.34 136.82 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -155.24 166.59 33.09 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.54 0.686 . . . . 0.0 111.597 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -70.68 150.73 45.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -62.15 -23.88 66.84 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.51 -0.744 . . . . 0.0 112.323 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -86.18 -0.83 56.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.966 -0.459 . . . . 0.0 111.679 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 mm -117.5 -34.65 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 124.447 1.099 . . . . 0.0 110.09 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -56.31 -38.82 71.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.041 0.382 . . . . 0.0 110.687 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.41 -20.98 66.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 122.469 -0.144 . . . . 0.0 110.979 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -84.29 -37.1 22.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.394 0.278 . . . . 0.0 111.351 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.223 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.779 -0.082 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.65 110.11 11.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.91 147.75 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.76 161.09 38.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.13 139.54 53.2 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -146.64 135.6 22.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.303 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.1 tptm -81.86 149.39 28.32 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.97 138.55 16.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.846 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.63 -1.42 58.38 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.983 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -110.67 -177.12 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.394 1.097 . . . . 0.0 110.828 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 m -138.01 170.57 15.81 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -144.36 165.83 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.277 1.831 . . . . 0.0 107.106 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.18 153.6 50.4 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.014 0.825 . . . . 0.0 112.119 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -144.69 140.22 23.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.691 0.797 . . . . 0.0 109.089 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.02 -140.15 39.43 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.36 10.93 5.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 110.519 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -139.06 8.56 2.5 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.732 0.813 . . . . 0.0 111.976 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.75 146.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-N 119.112 0.869 . . . . 0.0 110.497 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -140.32 156.86 46.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.03 149.12 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -142.28 127.33 18.45 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.64 93.91 2.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.03 -30.74 70.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.698 -174.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.88 -170.82 35.4 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.979 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.64 160.51 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.976 0.51 . . . . 0.0 109.767 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -148.02 82.61 1.5 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 -115.35 4.35 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -101.81 0.21 35.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.53 158.94 28.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.887 0.375 . . . . 0.0 110.084 172.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.5 122.41 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -83.64 121.64 27.53 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -121.96 127.78 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.72 150.65 17.58 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -135.02 145.16 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -135.21 103.51 5.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.44 53.55 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.089 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.7 153.37 54.01 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.124 2.55 . . . . 0.0 110.289 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? -66.09 -2.62 4.32 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.08 -0.387 . . . . 0.0 110.633 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.84 -11.33 60.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.811 0.844 . . . . 0.0 110.627 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.31 161.27 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.8 0.84 . . . . 0.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.78 157.46 17.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 111.548 -175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.47 134.04 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.05 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -157.17 168.96 25.89 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.375 0.27 . . . . 0.0 111.427 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -70.3 161.13 30.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -66.44 -23.82 66.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.98 -7.41 59.16 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.828 0.451 . . . . 0.0 112.034 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -114.14 -33.25 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 123.648 0.779 . . . . 0.0 109.953 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -57.03 -36.92 71.02 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.207 -0.308 . . . . 0.0 110.821 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.08 -20.83 66.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.43 -0.169 . . . . 0.0 110.9 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.69 -36.78 18.52 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.51 0.324 . . . . 0.0 111.303 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.83 108.46 10.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.35 146.89 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.08 159.5 42.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -121.36 146.24 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 2.5 mmp_? -143.69 163.49 33.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 6.5 tptm -111.03 151.82 27.58 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -56.3 114.44 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.455 0.57 . . . . 0.0 110.159 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.08 6.08 10.24 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.666 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -116.13 -179.84 3.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.198 0.999 . . . . 0.0 111.149 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.1 m -141.94 167.86 21.12 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -142.85 165.24 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 126.555 1.942 . . . . 0.0 107.077 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -137.89 153.28 49.57 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.447 -0.783 . . . . 0.0 112.202 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -142.2 142.22 27.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -140.05 36.77 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.35 12.68 5.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.472 0.709 . . . . 0.0 110.208 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -137.61 8.4 2.83 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.706 0.802 . . . . 0.0 111.93 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.13 145.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 119.296 0.953 . . . . 0.0 110.839 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.0 m -138.74 155.51 48.16 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.213 1.005 . . . . 0.0 108.408 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -135.1 147.95 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -143.64 130.98 20.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -86.37 99.93 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.43 -30.91 62.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.2 -173.92 36.08 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.599 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.6 160.72 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.97 0.385 . . . . 0.0 110.639 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.8 m -149.28 104.67 3.41 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.45 -98.82 0.42 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -123.3 -0.75 8.76 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.231 0.612 . . . . 0.0 110.558 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.414 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.0 mt-30 -73.88 155.14 39.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.37 120.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -78.8 121.03 24.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.47 128.51 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.71 149.38 17.68 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.2 mt -135.15 145.07 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.04 103.7 5.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.01 154.4 54.65 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.023 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.39 151.51 65.5 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.711 2.274 . . . . 0.0 110.226 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.2 -1.3 2.16 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.06 -0.4 . . . . 0.0 110.461 175.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.89 -10.66 59.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.202 1.001 . . . . 0.0 110.869 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.29 160.53 32.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.439 0.696 . . . . 0.0 109.602 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.71 156.24 17.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 111.282 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.53 134.27 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -158.0 173.84 16.14 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.688 0.28 . . . . 0.0 111.387 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -71.4 163.85 26.89 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -64.77 -31.01 72.05 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.217 -0.302 . . . . 0.0 110.761 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.12 -50.56 61.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.232 0.539 . . . . 0.0 110.432 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.75 -33.5 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.664 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -57.19 -42.54 81.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.69 -20.94 66.48 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.253 -0.28 . . . . 0.0 110.577 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -83.07 -37.89 23.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.41 -177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.042 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 108.26 10.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.43 145.14 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.31 0.644 . . . . 0.0 109.355 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.65 134.82 25.72 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -95.92 144.67 26.04 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -142.98 163.77 31.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 6.3 tptm -112.75 154.3 26.39 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -54.97 113.92 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 118.512 0.596 . . . . 0.0 110.604 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.23 -17.62 9.04 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 123.915 0.769 . . . . 0.0 112.608 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -81.25 -178.62 7.0 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.086 0.943 . . . . 0.0 111.638 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -142.99 168.54 19.46 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -143.94 165.95 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.067 1.747 . . . . 0.0 107.411 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -137.43 153.58 50.1 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.453 -0.78 . . . . 0.0 112.146 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.03 144.09 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -140.72 39.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.72 10.7 5.61 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.439 0.696 . . . . 0.0 109.657 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -140.8 8.95 2.15 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.442 0.697 . . . . 0.0 111.749 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 145.95 34.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.033 0.833 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -137.34 155.21 49.68 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -134.27 148.93 29.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.4 m -141.69 150.16 41.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -113.17 93.42 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.62 -29.99 71.01 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.191 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.38 -169.16 34.32 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 118.432 0.56 . . . . 0.0 113.128 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.46 163.12 37.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 109.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 p -152.94 93.94 1.8 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.8 -122.16 8.17 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.84 2.01 43.51 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -78.78 160.12 27.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.056 0.455 . . . . 0.0 109.998 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -142.22 120.3 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -80.42 121.73 26.09 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -121.03 146.2 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.6 152.19 16.87 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -137.07 145.41 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -135.16 104.95 6.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.75 154.92 48.35 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.136 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.51 151.7 53.4 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.038 2.492 . . . . 0.0 110.334 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -63.57 -4.46 2.92 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.12 -0.362 . . . . 0.0 110.669 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.81 -11.93 57.07 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.229 1.011 . . . . 0.0 110.928 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.16 160.24 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.613 0.765 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.48 154.58 18.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.321 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -153.62 128.74 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.059 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -156.61 163.52 39.24 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.26 159.79 23.0 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -66.0 -24.19 66.72 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.365 -0.209 . . . . 0.0 110.467 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.78 -5.96 59.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.815 0.446 . . . . 0.0 112.063 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -113.87 -35.48 2.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.099 0 C-N-CA 123.658 0.783 . . . . 0.0 110.249 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.28 -37.64 67.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.064 0.393 . . . . 0.0 111.282 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -65.49 -21.15 66.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.405 -0.184 . . . . 0.0 111.163 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -87.53 -31.76 19.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.975 0.51 . . . . 0.0 111.625 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.408 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 108.36 10.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 173.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.26 144.58 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.123 0.569 . . . . 0.0 109.48 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.06 134.35 26.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 172.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -95.78 149.17 21.8 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.14 164.56 38.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.145 174.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -106.58 151.55 24.88 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -55.64 122.48 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.35 -2.68 20.47 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 119.327 -0.707 . . . . 0.0 113.148 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -107.49 -179.97 4.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.672 1.236 . . . . 0.0 112.402 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -138.81 168.1 20.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -144.06 165.26 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.581 1.952 . . . . 0.0 107.653 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -133.01 153.3 51.61 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 121.288 0.566 . . . . 0.0 112.209 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -143.49 143.04 24.83 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.14 -140.7 35.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.38 12.39 5.48 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.807 0.843 . . . . 0.0 110.026 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -138.82 8.23 2.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.525 0.73 . . . . 0.0 111.903 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.93 146.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 118.921 0.782 . . . . 0.0 110.667 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.6 m -139.97 155.73 46.98 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.197 0.999 . . . . 0.0 108.441 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -133.36 149.2 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.091 0.956 . . . . 0.0 108.434 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.02 151.95 42.93 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 tp -112.64 88.96 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.59 -29.54 70.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.573 -174.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.87 -167.75 34.31 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.732 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.17 164.7 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 123.032 0.533 . . . . 0.0 109.953 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -146.54 78.68 1.51 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -114.58 4.2 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.406 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.8 mp0 -98.17 -1.32 42.43 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -75.29 160.42 30.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.045 0.45 . . . . 0.0 110.342 171.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -143.4 115.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -80.89 113.12 18.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.5 145.24 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.07 150.8 17.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.82 145.56 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -135.69 105.23 6.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.69 155.59 52.55 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 123.656 0.783 . . . . 0.0 109.532 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.14 152.74 62.39 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.858 2.372 . . . . 0.0 110.218 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.48 -3.01 3.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.319 0.248 . . . . 0.0 110.591 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.09 -10.66 55.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.52 0.728 . . . . 0.0 111.092 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.87 160.44 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 124.088 0.955 . . . . 0.0 109.858 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.88 156.01 17.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.611 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -152.93 132.7 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -157.06 169.13 25.5 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.674 0.389 . . . . 0.0 110.952 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -69.58 165.23 21.54 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -64.81 -24.05 67.43 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.703 0.229 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -74.09 -50.77 18.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.706 0.765 . . . . 0.0 110.228 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -72.33 -32.93 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.926 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.88 -43.53 77.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.925 0.33 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.88 -20.49 65.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.877 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -81.37 -38.73 26.16 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.47 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.535 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 tpp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 109.99 13.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.08 143.47 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.436 0.694 . . . . 0.0 109.3 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.62 134.86 27.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.1 p -93.45 146.42 23.77 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -145.46 137.54 25.57 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.303 0.641 . . . . 0.0 109.687 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 4.2 tptm -82.4 155.54 24.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 172.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.66 124.08 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 118.671 0.668 . . . . 0.0 109.932 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.37 -16.44 22.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.578 0.609 . . . . 0.0 112.437 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -83.15 -178.11 6.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.71 0.755 . . . . 0.0 111.167 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -142.21 166.81 23.68 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.95 165.42 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.505 1.922 . . . . 0.0 107.625 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.19 153.61 47.92 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.597 -0.69 . . . . 0.0 112.076 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -143.27 144.95 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.991 0.916 . . . . 0.0 108.545 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -140.35 37.36 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.07 10.76 5.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.362 0.665 . . . . 0.0 109.604 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -139.24 8.55 2.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.54 0.736 . . . . 0.0 111.752 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.43 145.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.935 0.788 . . . . 0.0 110.314 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -137.17 154.73 50.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -136.47 149.07 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -140.05 151.15 45.18 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.06 92.72 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.02 -31.73 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.178 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 -168.68 34.32 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.807 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.81 163.03 37.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.088 0.555 . . . . 0.0 109.85 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -148.73 80.77 1.44 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.56 -116.09 4.58 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -171.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.41 -0.82 40.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -76.6 159.46 30.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -142.66 118.68 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -81.38 117.58 21.96 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.39 142.61 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.82 150.85 17.01 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -135.93 145.24 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -136.16 104.19 5.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.04 155.61 58.64 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.336 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.31 151.75 66.12 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.087 2.525 . . . . 0.0 110.419 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.53 -2.14 3.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 122.274 -0.266 . . . . 0.0 110.642 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.19 -10.87 57.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.849 0.86 . . . . 0.0 110.698 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.87 160.79 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.934 0.893 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 157.01 17.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.49 0.186 . . . . 0.0 111.308 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 134.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -158.25 162.08 37.8 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.934 0.494 . . . . 0.0 110.37 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -74.94 159.01 32.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.23 -24.23 66.2 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 10.6 pt-20 -85.01 -4.26 59.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.938 -0.477 . . . . 0.0 112.027 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.99 -35.49 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.655 0.782 . . . . 0.0 109.64 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.98 -38.21 70.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.891 0.314 . . . . 0.0 111.148 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -65.22 -21.26 66.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.39 -0.193 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -83.6 -36.43 23.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.935 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 119.658 -0.21 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.66 109.31 11.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.74 145.12 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -143.35 134.88 26.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -94.72 148.09 22.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -145.54 164.32 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -111.55 152.67 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.4 114.92 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.531 0.605 . . . . 0.0 110.006 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.88 6.27 11.34 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.684 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -114.71 -176.4 2.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.119 0.96 . . . . 0.0 111.117 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.3 m -145.83 167.79 22.36 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.87 163.09 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.768 1.627 . . . . 0.0 107.363 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -134.67 153.39 52.01 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.376 0.67 . . . . 0.0 111.801 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.77 138.77 28.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.07 -139.61 40.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.1 10.88 5.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.242 0.617 . . . . 0.0 110.617 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -137.13 7.89 2.92 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.374 0.67 . . . . 0.0 112.038 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.81 144.38 37.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 CA-C-N 119.077 0.853 . . . . 0.0 110.721 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -139.81 156.46 46.73 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -135.03 149.09 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -142.04 128.08 19.61 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.74 92.67 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.75 -32.87 74.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.997 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -167.48 34.07 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.608 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.4 162.61 39.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -148.68 83.68 1.47 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.9 -116.17 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 -172.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.9 mp0 -101.61 0.99 37.28 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -79.31 160.58 26.72 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.28 120.06 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -81.43 119.03 23.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.78 129.01 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.15 150.11 17.67 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.07 144.86 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -136.2 104.03 5.51 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.6 155.17 56.82 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.855 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.93 150.72 67.56 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.871 2.381 . . . . 0.0 109.867 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -66.67 -1.12 3.4 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 122.316 -0.24 . . . . 0.0 110.414 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.57 -11.73 60.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.423 1.089 . . . . 0.0 110.909 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.34 160.69 31.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.86 0.864 . . . . 0.0 109.698 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.94 157.11 16.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.01 135.05 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -156.97 169.78 24.02 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.911 0.386 . . . . 0.0 111.458 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -71.47 160.26 33.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -68.41 -23.47 64.64 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.58 -6.34 59.42 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.66 0.384 . . . . 0.0 111.668 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.06 -36.05 2.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 123.717 0.807 . . . . 0.0 110.617 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.16 -37.62 69.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 122.479 -0.138 . . . . 0.0 111.109 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -65.39 -20.61 66.45 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.229 0.211 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -85.76 -35.86 20.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.421 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.62 110.79 12.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.73 145.74 7.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.338 0.655 . . . . 0.0 109.536 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.9 mt -141.4 158.99 43.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.04 143.61 48.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.0 mmp_? -145.65 135.02 23.05 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.262 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.9 153.84 30.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 171.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.7 129.73 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.245 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.21 -16.75 29.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.578 0.608 . . . . 0.0 112.46 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -84.59 -179.77 7.21 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.036 0.918 . . . . 0.0 111.334 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -140.66 167.41 22.24 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.9 mm -142.54 165.49 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.314 1.846 . . . . 0.0 107.597 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -138.98 153.33 48.16 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.627 -0.67 . . . . 0.0 112.286 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -143.5 145.37 22.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -140.29 42.92 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.23 10.76 5.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.642 0.777 . . . . 0.0 109.459 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -142.53 9.64 1.81 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.214 0.606 . . . . 0.0 111.864 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.07 145.72 35.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 118.904 0.775 . . . . 0.0 110.75 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -138.51 154.82 48.8 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.478 1.111 . . . . 0.0 108.259 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -135.68 148.23 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.6 m -143.03 124.38 14.67 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -77.7 96.24 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.87 -30.98 68.57 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.982 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.61 -174.01 35.67 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.074 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.39 160.71 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.758 0.279 . . . . 0.0 110.918 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.13 105.97 3.43 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -97.07 0.33 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 7.5 mm-40 -126.51 -0.54 6.87 Favored 'General case' 0 CA--C 1.524 -0.057 0 C-N-CA 123.414 0.685 . . . . 0.0 110.163 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 25.6 mt-30 -74.29 153.94 39.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.51 117.44 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.75 120.2 21.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -122.05 120.14 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.97 148.79 19.19 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.33 144.16 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.23 103.46 5.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.63 155.38 56.64 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.062 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.14 151.91 55.78 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.031 2.487 . . . . 0.0 110.079 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.19 -3.6 2.91 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.363 0.265 . . . . 0.0 110.493 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.04 -11.2 58.54 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.096 0.958 . . . . 0.0 110.905 173.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.45 160.8 31.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.578 0.751 . . . . 0.0 109.55 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.4 157.32 16.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.649 0.261 . . . . 0.0 111.475 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.34 133.93 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -157.59 168.47 27.17 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.626 0.37 . . . . 0.0 111.531 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -70.87 159.37 34.75 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -64.99 -23.68 67.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.616 -0.677 . . . . 0.0 111.001 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -87.11 0.08 55.83 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.853 0.461 . . . . 0.0 112.018 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.8 mm -119.03 -33.85 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 123.622 0.769 . . . . 0.0 109.801 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -56.43 -40.62 75.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.157 -0.339 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.23 -20.65 65.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 122.302 -0.249 . . . . 0.0 111.241 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -86.82 -35.46 19.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.465 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.53 0.196 0 CA-C-N 118.634 0.652 . . . . 0.0 109.489 176.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.57 106.47 10.16 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -83.47 147.16 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -141.11 157.66 44.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -118.49 145.13 45.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -149.96 137.94 20.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.406 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.418 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.8 tptm -82.64 149.42 27.4 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -56.23 139.48 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.686 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 0.48 60.13 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -114.47 -176.52 2.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.401 1.101 . . . . 0.0 110.47 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -139.65 169.33 17.92 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -169.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -144.4 165.41 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.441 1.897 . . . . 0.0 107.483 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.27 153.78 50.26 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.492 0.587 . . . . 0.0 112.448 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.09 145.66 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.226 1.01 . . . . 0.0 108.519 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 -142.06 38.19 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.04 10.53 5.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.7 0.8 . . . . 0.0 109.6 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.39 8.97 2.03 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.79 0.836 . . . . 0.0 111.854 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.59 146.92 33.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 119.155 0.889 . . . . 0.0 111.067 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -138.08 155.1 49.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.303 1.041 . . . . 0.0 108.352 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.54 146.67 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.6 m -140.85 122.42 15.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.58 90.01 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.5 -30.84 71.66 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.436 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.24 -172.46 35.93 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.337 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.91 160.65 38.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -150.12 105.6 3.39 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -96.63 0.35 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -126.06 0.29 7.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.238 0.615 . . . . 0.0 110.641 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.74 160.09 32.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.25 119.68 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -80.86 119.38 23.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.41 120.07 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.39 149.51 19.36 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.33 144.83 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -135.27 104.24 5.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.19 154.4 53.98 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.022 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.93 151.83 62.74 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.293 2.662 . . . . 0.0 110.321 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.31 -2.71 3.3 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 122.21 -0.306 . . . . 0.0 110.636 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.42 -11.72 58.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.316 1.047 . . . . 0.0 110.684 173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.17 160.79 32.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 123.766 0.826 . . . . 0.0 109.862 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.18 16.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 134.59 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -157.21 171.1 21.04 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.28 0.232 . . . . 0.0 111.175 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -72.53 158.72 35.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.67 -23.32 67.22 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.037 0.381 . . . . 0.0 110.63 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.63 -3.73 58.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.24 0.616 . . . . 0.0 112.399 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -117.79 -34.59 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 123.907 0.883 . . . . 0.0 110.031 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.23 -37.84 70.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.014 -0.429 . . . . 0.0 110.885 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -64.97 -21.39 66.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.451 -0.155 . . . . 0.0 110.973 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -85.38 -32.22 22.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.436 0.294 . . . . 0.0 111.453 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.426 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.742 -0.096 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 112.0 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.31 143.85 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.82 134.41 28.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -90.3 148.29 22.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -150.71 138.6 19.96 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.265 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.4 tptm -86.55 150.26 24.37 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.7 m -57.55 134.15 22.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.531 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.96 55.02 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.371 -0.683 . . . . 0.0 112.953 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -114.81 -176.14 2.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.356 1.078 . . . . 0.0 110.856 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -139.61 169.52 17.59 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -144.75 165.62 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.149 1.779 . . . . 0.0 107.413 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.04 153.9 49.32 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.797 0.726 . . . . 0.0 112.539 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.34 143.32 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -141.71 32.2 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.18 13.14 5.64 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.441 0.696 . . . . 0.0 109.981 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -138.27 6.65 2.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.625 0.77 . . . . 0.0 111.86 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.87 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 CA-C-N 118.82 0.736 . . . . 0.0 110.417 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -138.55 154.99 48.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -134.99 148.99 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -140.11 150.04 43.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.23 90.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -65.57 -34.29 77.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.337 -173.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.21 -173.57 37.66 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.088 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.46 161.55 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 C-N-CA 122.773 0.429 . . . . 0.0 110.693 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -150.55 106.99 3.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.36 -102.91 0.79 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.464 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 4.8 mm-40 -120.34 0.43 10.58 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.078 0.551 . . . . 0.0 110.511 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 26.7 mt-30 -73.83 154.49 39.47 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.49 119.56 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.9 mtt85 -80.95 120.63 25.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 169.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 mt -120.37 140.68 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.17 18.01 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -137.17 145.23 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.27 104.57 5.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.07 155.68 55.0 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 123.767 0.827 . . . . 0.0 109.599 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.45 151.22 65.02 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.063 2.508 . . . . 0.0 110.317 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.84 -1.86 2.22 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.83 -10.88 59.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.006 0.923 . . . . 0.0 110.911 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.44 160.4 31.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.632 0.773 . . . . 0.0 109.513 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.62 156.76 16.9 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -153.79 134.39 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -157.42 164.89 37.01 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpt85 -66.69 152.11 46.06 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.95 -23.55 65.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.333 0.515 . . . . 0.0 112.244 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.5 -11.55 55.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.421 0.555 . . . . 0.0 111.849 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 mm -104.19 -35.14 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.814 0.845 . . . . 0.0 109.848 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -57.16 -40.78 77.96 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.555 -0.716 . . . . 0.0 110.861 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.72 -20.55 65.82 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.335 -0.228 . . . . 0.0 110.963 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -84.0 -37.92 21.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.322 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.53 0.211 0 CA-C-N 118.646 0.657 . . . . 0.0 109.288 176.013 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.6 tpp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.18 109.64 11.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 144.41 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -142.74 135.08 27.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.7 p -92.47 149.77 21.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.462 HH21 ' HB ' ' C' ' 22' ' ' ILE . 21.5 ttp180 -148.68 164.18 35.11 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.48 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.9 tptm -121.63 149.07 43.72 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 m -53.33 129.48 14.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.927 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.07 2.45 36.15 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.992 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -116.89 -171.32 2.0 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.78 1.29 . . . . 0.0 112.444 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -148.85 171.2 16.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.453 HG13 ' HD3' ' C' ' 6' ' ' ARG . 41.5 mt -145.0 165.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.053 2.141 . . . . 0.0 107.08 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -130.58 153.55 48.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.691 -0.63 . . . . 0.0 111.512 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -144.01 140.65 25.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -138.04 43.63 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -130.94 10.58 5.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.48 0.712 . . . . 0.0 109.515 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.55 8.5 2.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.336 0.654 . . . . 0.0 112.141 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.62 144.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.784 0.72 . . . . 0.0 110.087 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -140.11 153.9 46.85 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -132.46 149.41 32.21 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -140.56 153.86 46.28 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 122.687 0.395 . . . . 0.0 110.064 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.462 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -111.69 92.22 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -30.11 70.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.19 -170.73 35.0 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.664 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.08 162.43 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 CA-C-O 121.054 0.454 . . . . 0.0 110.177 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -147.31 80.77 1.52 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.58 -117.43 5.2 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -171.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.02 -1.89 38.63 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 117.043 0.422 . . . . 0.0 110.017 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.1 mt-30 -80.43 155.82 26.92 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -142.93 118.66 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -78.42 117.79 19.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -117.1 138.76 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.41 149.86 18.56 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.7 mt -135.85 144.94 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -135.57 102.45 5.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.39 153.74 52.32 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.369 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.42 152.15 65.72 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.899 2.399 . . . . 0.0 110.14 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.4 -2.7 3.42 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.61 -11.72 58.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.949 0.9 . . . . 0.0 110.892 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.05 160.28 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.611 0.764 . . . . 0.0 109.327 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.73 156.74 17.16 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.32 131.68 2.74 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -157.26 164.74 37.36 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 122.792 0.437 . . . . 0.0 110.691 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -72.8 165.39 24.95 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.01 -33.41 70.69 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.12 -53.52 48.21 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 121.701 -0.624 . . . . 0.0 111.003 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.22 -31.63 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.811 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -55.31 -40.74 71.47 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.014 0.37 . . . . 0.0 111.143 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.54 -20.82 66.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.285 -0.259 . . . . 0.0 111.28 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -85.82 -33.23 21.4 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.327 0.251 . . . . 0.0 111.655 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.4 HD12 ' N ' ' C' ' 51' ' ' ILE . 2.6 mp . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.31 110.27 12.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.54 147.1 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -140.96 155.18 46.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.95 141.52 48.59 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.403 ' HE ' ' C ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -150.45 165.05 34.35 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.585 178.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.9 tptm -108.93 150.84 27.12 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 m -54.54 126.62 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 118.064 0.393 . . . . 0.0 110.347 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.39 -6.98 24.74 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.074 -0.848 . . . . 0.0 113.274 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' HE ' ' A' ' 6' ' ' ARG . 77.4 mm-40 -101.89 -179.06 3.89 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.755 1.278 . . . . 0.0 112.522 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -138.5 166.64 23.77 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mt -143.3 165.64 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.422 1.889 . . . . 0.0 107.884 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -134.63 153.47 51.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.394 0.678 . . . . 0.0 112.156 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -143.15 143.17 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.51 -138.94 42.97 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.18 10.62 5.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.095 0.558 . . . . 0.0 109.799 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.63 8.95 2.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.334 0.654 . . . . 0.0 111.9 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.58 145.75 35.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 119.108 0.867 . . . . 0.0 110.53 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.4 m -138.17 155.48 48.66 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -134.2 149.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.4 m -139.74 153.27 47.15 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.756 0.423 . . . . 0.0 110.157 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -112.97 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.83 -30.35 71.45 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.931 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.41 -170.43 34.53 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.693 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -132.93 161.58 41.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -150.07 98.15 2.66 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.67 -113.91 6.03 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -106.0 0.03 25.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.12 0.46 . . . . 0.0 110.329 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -78.05 160.5 28.08 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 109.635 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.1 t -141.95 117.37 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -79.18 108.92 13.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -105.17 146.02 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.68 148.85 16.83 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.8 mt -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -136.78 101.91 4.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 155.73 60.35 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.326 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.13 153.0 51.52 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.176 2.584 . . . . 0.0 110.067 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -65.96 -4.23 6.67 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.32 -0.237 . . . . 0.0 110.863 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.94 -9.2 43.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.067 0.947 . . . . 0.0 110.982 171.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -138.67 160.62 30.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 123.564 0.746 . . . . 0.0 109.901 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.32 156.73 17.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.002 0.43 . . . . 0.0 111.793 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.03 135.61 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -157.61 169.22 25.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.823 0.449 . . . . 0.0 111.256 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm-85 -70.92 163.7 26.92 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -65.43 -23.83 67.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.995 -0.441 . . . . 0.0 111.296 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.2 -48.66 41.42 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 121.318 0.58 . . . . 0.0 109.991 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.2 mm -76.27 -33.67 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.008 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -56.2 -41.34 75.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.483 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 122.361 -0.212 . . . . 0.0 111.056 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -80.57 -38.86 28.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.222 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 CA--C 1.533 0.314 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.053 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.842 -0.059 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 105.08 8.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 173.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -78.96 145.2 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.33 134.27 25.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.0 p -94.55 143.32 26.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -147.45 135.48 21.34 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.24 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 3.8 tptm -83.75 149.04 26.7 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -56.49 132.08 20.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.28 0.85 44.24 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.69 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -115.51 -175.75 2.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.545 1.172 . . . . 0.0 111.039 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -141.25 169.3 17.86 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.38 165.93 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 126.514 1.926 . . . . 0.0 107.41 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -138.59 154.23 48.7 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.403 -0.811 . . . . 0.0 112.906 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -141.31 143.04 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.29 -141.03 31.3 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -130.03 11.22 5.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.553 0.741 . . . . 0.0 110.221 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -136.78 8.28 3.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.594 0.757 . . . . 0.0 111.733 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 146.59 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 CA-C-N 118.951 0.796 . . . . 0.0 110.865 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.22 154.96 49.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.51 148.93 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.8 m -141.23 149.29 41.18 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -111.15 91.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.52 -32.46 73.82 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.229 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.97 -171.73 36.35 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.739 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.34 162.14 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -146.78 81.81 1.56 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.09 -115.09 4.37 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -171.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -100.9 -2.39 32.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.432 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.5 mt-30 -78.08 154.62 31.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.37 123.4 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -85.24 120.81 27.14 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 170.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -121.91 140.88 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.71 150.16 18.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 1' ' ' MET . 73.7 mt -136.6 145.12 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -136.72 105.39 5.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.52 155.36 60.55 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.88 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.52 150.08 74.95 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.533 2.155 . . . . 0.0 109.79 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -65.53 -1.83 2.91 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.325 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.31 -12.09 60.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.176 0.991 . . . . 0.0 110.961 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.58 160.65 34.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.564 0.746 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.08 157.1 16.58 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 111.622 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.5 129.32 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -157.21 163.14 39.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 122.745 0.418 . . . . 0.0 110.338 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -73.38 163.06 28.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 172.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.47 -38.98 78.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.53 -11.3 60.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -102.66 -32.87 3.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -55.46 -42.83 74.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.912 0.324 . . . . 0.0 111.073 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.82 -20.79 66.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 121.452 -0.099 . . . . 0.0 111.057 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.2 -37.4 23.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.059 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.408 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 118.837 0.744 . . . . 0.0 109.174 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 50.3 tpp . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 119.865 -0.112 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.75 112.97 13.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.55 143.9 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.165 0.586 . . . . 0.0 109.691 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.61 134.84 27.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 p -95.59 144.26 26.19 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -146.15 135.22 22.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.093 0.557 . . . . 0.0 110.341 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.3 tptm -80.39 155.59 27.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 170.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 m -57.87 140.26 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.221 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.15 -15.07 61.94 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.544 0.592 . . . . 0.0 112.323 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.63 -178.63 7.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.893 0.846 . . . . 0.0 111.032 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.3 m -142.65 166.49 24.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.69 165.06 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.384 1.873 . . . . 0.0 107.303 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.29 153.68 46.55 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 118.604 0.638 . . . . 0.0 111.926 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -142.88 144.92 23.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.08 36.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -130.22 11.14 5.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.392 0.677 . . . . 0.0 109.685 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -139.07 8.97 2.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -131.48 145.4 35.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 119.07 0.85 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -138.48 154.48 48.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -135.71 148.92 27.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.7 m -144.24 125.89 15.07 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.33 93.27 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -64.72 -34.6 78.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.924 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.61 -171.36 36.75 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.669 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.38 160.73 42.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 122.723 0.409 . . . . 0.0 110.306 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -148.66 98.45 2.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.65 -96.47 0.36 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -172.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.2 mp0 -121.57 -2.77 9.37 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.381 0.673 . . . . 0.0 110.602 177.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -76.86 158.37 30.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -143.12 118.55 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -81.31 123.36 28.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.43 128.11 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.03 149.83 16.89 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.1 mt -135.98 144.97 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -135.68 103.44 5.43 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.69 155.07 56.55 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.99 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.57 151.39 70.13 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.088 2.526 . . . . 0.0 109.597 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -66.86 -1.34 3.84 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.214 -0.304 . . . . 0.0 110.298 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.07 -11.72 59.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.116 0.966 . . . . 0.0 110.994 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.47 161.07 31.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.937 0.895 . . . . 0.0 109.531 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.12 157.47 16.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.644 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.95 132.12 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -157.47 165.77 34.76 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -63.5 156.32 26.67 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 168.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.38 -23.71 67.04 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 122.117 -0.364 . . . . 0.0 110.909 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.06 -8.72 58.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.92 -34.19 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.443 0.697 . . . . 0.0 109.72 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -57.38 -37.65 72.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.823 0.283 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -65.42 -21.79 66.7 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.43 -36.9 23.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.361 0.264 . . . . 0.0 111.175 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -129.13 112.78 14.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.04 143.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.53 134.76 31.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -86.01 156.53 20.4 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.467 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.1 ttp180 -150.49 161.88 41.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE2' ' CB ' ' A' ' 28' ' ' GLN . 12.9 tptm -124.59 148.01 48.12 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.24 122.88 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 118.736 0.698 . . . . 0.0 109.928 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.73 0.38 23.06 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.402 -0.666 . . . . 0.0 113.123 -178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -110.94 -169.37 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.285 1.042 . . . . 0.0 111.773 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -152.28 169.92 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.148 0.979 . . . . 0.0 111.609 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.467 HG13 ' HD3' ' C' ' 6' ' ' ARG . 52.5 mt -144.74 164.94 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.026 1.73 . . . . 0.0 107.561 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -133.59 153.31 51.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.1 0.476 . . . . 0.0 111.675 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -144.71 143.57 22.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.95 43.6 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -129.92 10.65 5.51 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.522 0.729 . . . . 0.0 109.907 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.68 9.17 1.98 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.21 0.604 . . . . 0.0 112.42 -175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.48 145.11 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.942 0.792 . . . . 0.0 111.198 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -139.15 153.68 47.98 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 108.095 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -132.98 149.72 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -139.35 153.58 47.71 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.477 0.311 . . . . 0.0 110.302 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.404 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -112.06 93.11 2.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 C-N-CA 123.611 0.764 . . . . 0.0 109.146 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.43 -31.95 73.02 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.594 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -171.07 34.2 Favored Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.54 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.66 161.73 39.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 CA-C-N 116.924 0.362 . . . . 0.0 110.492 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.6 m -149.78 106.0 3.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -96.9 0.33 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 9.2 mm-40 -125.65 -0.74 7.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.062 0.545 . . . . 0.0 110.669 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.417 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 26.2 mt-30 -73.33 154.84 39.94 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 172.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.75 117.39 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -80.62 116.04 20.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 171.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -114.13 140.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 149.84 18.68 Favored Glycine 0 C--N 1.331 0.286 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 1' ' ' MET . 75.7 mt -135.6 145.36 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -135.41 102.61 5.2 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.13 53.61 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.047 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.32 152.56 55.51 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.059 2.506 . . . . 0.0 110.482 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.96 -5.33 5.94 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 122.291 -0.255 . . . . 0.0 110.43 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.71 -9.08 40.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.066 0.946 . . . . 0.0 111.259 172.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.1 160.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.522 0.729 . . . . 0.0 109.743 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.07 156.19 17.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.51 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.39 134.88 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -157.28 169.87 23.76 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 122.997 0.519 . . . . 0.0 110.584 -176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.3 ptp85 -79.39 165.8 22.72 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.26 -24.04 66.1 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.495 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.0 tp10 -72.17 -51.06 23.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.628 0.649 . . . . 0.0 110.606 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.44 -31.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.888 -172.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.56 -41.6 77.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.178 0.444 . . . . 0.0 110.613 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.42 -21.05 66.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.981 -0.1 . . . . 0.0 111.058 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.15 -37.6 20.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.533 0.297 0 CA-C-N 118.541 0.61 . . . . 0.0 109.45 176.41 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 110.79 13.39 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.4 145.92 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.145 0 C-N-CA 123.32 0.648 . . . . 0.0 109.53 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -141.37 157.49 45.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -120.58 138.21 54.0 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -144.53 134.6 24.04 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.796 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -79.43 156.06 28.05 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.28 131.35 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.356 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 -14.52 42.35 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.616 -0.546 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -87.43 -179.72 6.42 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.346 1.073 . . . . 0.0 110.735 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -142.49 167.18 22.71 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -142.71 165.03 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.496 1.918 . . . . 0.0 107.508 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -139.14 153.69 47.99 Favored 'General case' 0 C--N 1.338 0.083 0 O-C-N 121.677 -0.639 . . . . 0.0 112.159 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.77 144.02 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.83 -141.63 32.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.0 12.22 5.65 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.506 0.722 . . . . 0.0 110.133 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -137.92 7.48 2.71 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.855 0.862 . . . . 0.0 111.773 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.83 146.06 34.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.127 0.876 . . . . 0.0 110.914 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -139.04 156.68 47.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.77 147.96 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.6 m -143.65 127.06 16.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -79.73 95.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.2 mt -69.18 -30.44 68.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.961 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.26 -172.07 35.87 Favored Glycine 0 C--N 1.34 0.775 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.652 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -133.65 163.07 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.025 0.441 . . . . 0.0 110.372 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -146.69 79.38 1.52 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.57 -114.24 4.05 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 107.878 -2.089 . . . . 0.0 107.878 -172.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -100.82 -2.35 32.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.971 0.385 . . . . 0.0 110.297 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 25.8 mt-30 -78.71 153.3 31.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -141.85 118.98 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 51.3 mtt85 -77.92 118.5 20.28 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -120.85 121.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.4 149.14 19.23 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -133.34 144.99 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -137.75 102.95 4.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.75 57.95 Favored Pre-proline 0 N--CA 1.449 -0.478 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.14 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.03 151.49 67.54 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.922 2.415 . . . . 0.0 109.839 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -66.6 -1.41 3.67 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.546 0.212 . . . . 0.0 110.538 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.92 -10.63 58.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 110.824 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.92 160.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.877 0.871 . . . . 0.0 109.603 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.27 157.35 16.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.856 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.05 133.19 3.9 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -157.09 167.61 29.91 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.68 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -70.65 162.1 29.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -67.22 -23.59 65.74 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.347 -0.221 . . . . 0.0 110.665 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.67 -5.78 59.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 111.96 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -116.94 -33.35 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 123.93 0.892 . . . . 0.0 110.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.43 -37.1 69.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 117.756 0.253 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.99 -21.21 66.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.505 -0.122 . . . . 0.0 111.132 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -87.16 -35.97 18.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.552 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.35 103.22 7.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.32 146.08 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.56 158.56 43.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.3 p -121.84 145.0 48.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.479 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 1.6 tpt180 -147.68 155.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.289 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.43 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 7.4 tptm -98.44 150.63 21.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.09 132.23 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 118.417 0.553 . . . . 0.0 110.291 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.42 35.86 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.645 -0.53 . . . . 0.0 112.551 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . 0.479 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 50.9 mm-40 -106.46 -176.66 3.14 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.125 0.963 . . . . 0.0 111.537 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -139.35 169.9 16.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -146.56 165.82 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.121 1.768 . . . . 0.0 107.211 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -135.64 153.43 51.63 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 119.043 0.838 . . . . 0.0 112.662 -174.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -144.65 144.0 22.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 108.68 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -141.19 38.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.71 10.63 6.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.36 0.664 . . . . 0.0 109.903 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.19 9.38 1.88 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.423 0.689 . . . . 0.0 111.918 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.95 146.5 33.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 CA-C-N 118.777 0.717 . . . . 0.0 110.752 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -140.34 155.33 46.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.62 149.54 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.4 m -142.21 121.1 12.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -77.46 91.46 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.4 mt -67.54 -32.01 72.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.54 -169.54 35.63 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.68 165.88 28.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 122.51 0.324 . . . . 0.0 110.631 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -151.4 102.84 2.94 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.14 -95.93 0.3 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -172.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -124.46 1.6 8.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.406 0.683 . . . . 0.0 110.577 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -71.64 160.78 32.06 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -140.6 119.66 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -80.12 119.89 23.53 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -120.82 121.19 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.91 150.16 19.61 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -136.3 144.75 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -135.04 104.19 5.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.54 155.01 53.28 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.4 152.49 60.69 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.116 2.544 . . . . 0.0 110.471 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -66.21 -2.18 4.03 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 122.38 -0.2 . . . . 0.0 110.667 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.82 -11.47 58.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.917 0.887 . . . . 0.0 110.653 172.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.41 160.93 31.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 109.868 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.64 157.43 16.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 122.395 0.278 . . . . 0.0 111.601 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.99 134.02 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -156.5 169.59 24.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.718 0.407 . . . . 0.0 111.484 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -71.94 158.78 35.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.66 -23.28 67.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.912 -0.492 . . . . 0.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 -2.15 57.82 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.734 0.813 . . . . 0.0 111.967 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.07 -35.52 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 C-N-CA 123.776 0.83 . . . . 0.0 109.618 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.26 -38.08 68.08 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.088 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -65.23 -20.73 66.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.331 -0.23 . . . . 0.0 111.164 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.02 -31.74 20.39 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.958 0.503 . . . . 0.0 111.377 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.69 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 107.24 10.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 173.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.43 147.24 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -140.03 159.85 41.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -120.05 140.99 50.17 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -144.29 164.16 31.57 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -113.38 155.94 24.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.06 113.43 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.104 0.478 . . . . 0.0 110.555 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.1 -14.59 8.92 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.923 0.773 . . . . 0.0 112.656 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -85.52 -175.23 5.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 117.753 0.777 . . . . 0.0 111.867 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -145.58 167.52 22.85 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.9 165.79 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 126.549 1.939 . . . . 0.0 107.646 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.46 153.93 50.01 Favored 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 118.858 0.753 . . . . 0.0 112.338 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -142.56 144.94 23.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 123.926 0.89 . . . . 0.0 108.722 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.62 -140.63 37.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.32 11.26 5.39 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 109.529 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -139.65 8.4 2.37 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.577 0.751 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.139 0.881 . . . . 0.0 110.649 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -137.8 155.35 49.11 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.25 148.98 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -139.49 149.78 44.38 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.44 88.56 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.67 -31.34 72.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.193 0.597 . . . . 0.0 111.753 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -168.13 34.31 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.857 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.93 160.42 35.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -147.78 79.56 1.48 Allowed 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.71 -118.11 4.92 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.844 -2.102 . . . . 0.0 107.844 -171.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.17 0.54 43.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -80.94 160.61 24.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.7 t -140.46 118.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -77.62 115.26 17.23 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -113.74 143.57 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 151.46 17.12 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.49 144.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -136.3 103.42 5.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.3 155.86 57.67 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.178 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.75 151.66 57.82 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.718 2.279 . . . . 0.0 110.176 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.33 -4.0 4.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.402 -0.186 . . . . 0.0 110.555 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.89 -8.02 40.21 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.397 1.079 . . . . 0.0 110.933 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.13 160.56 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 123.521 0.729 . . . . 0.0 109.415 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.52 156.98 17.25 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 111.455 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.42 133.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -157.02 167.2 31.18 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.915 0.486 . . . . 0.0 110.882 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.77 159.24 33.92 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.565 . . . . 0.0 111.177 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.13 -3.64 58.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.54 0.736 . . . . 0.0 111.87 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -116.91 -34.27 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 C-N-CA 123.714 0.806 . . . . 0.0 109.692 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -55.96 -38.13 69.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 117.954 0.343 . . . . 0.0 111.394 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -65.08 -20.79 66.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.221 0.082 . . . . 0.0 111.221 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.56 -35.53 19.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.54 0.336 . . . . 0.0 111.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.8 mp . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 107.53 11.71 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 145.6 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.384 0.674 . . . . 0.0 109.596 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -143.16 134.84 26.53 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -93.9 144.44 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.638 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.8 OUTLIER -147.34 129.19 15.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.452 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -75.74 146.58 39.96 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 174.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.16 126.13 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.75 -3.02 27.47 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.461 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -111.6 -178.31 3.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.573 1.187 . . . . 0.0 110.98 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -136.56 169.9 16.94 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -143.58 165.94 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.783 2.033 . . . . 0.0 107.164 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -138.08 153.79 49.28 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.333 -0.854 . . . . 0.0 112.226 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -142.42 145.03 24.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 124.111 0.964 . . . . 0.0 108.815 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.39 -140.2 43.29 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -129.88 10.34 5.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.627 0.771 . . . . 0.0 109.444 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -142.58 9.15 1.78 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.742 0.817 . . . . 0.0 112.308 -175.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.37 147.39 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.033 0.833 . . . . 0.0 110.88 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -137.65 154.74 49.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -134.87 148.65 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -144.47 135.88 25.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.05 0.452 . . . . 0.0 110.087 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -89.52 92.92 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.97 -31.77 72.88 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -167.78 34.08 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.357 -0.449 . . . . 0.0 112.361 173.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.36 164.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.56 64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -113.04 3.56 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -92.27 -6.97 49.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -76.96 156.11 32.2 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.335 0.588 . . . . 0.0 110.139 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -137.26 121.51 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.433 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -83.19 118.93 23.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 171.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -119.57 135.65 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.72 152.05 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -135.8 145.24 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -134.84 104.91 6.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.36 155.31 49.96 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 123.897 0.879 . . . . 0.0 109.19 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.33 152.59 61.17 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.66 2.24 . . . . 0.0 110.324 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -66.09 -2.19 3.9 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.924 -0.485 . . . . 0.0 110.371 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.18 -11.6 59.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.891 0.876 . . . . 0.0 110.868 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.43 160.55 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.825 0.85 . . . . 0.0 109.286 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.61 155.56 17.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.973 0.416 . . . . 0.0 111.542 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.91 133.61 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -155.69 165.86 35.25 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 121.044 0.449 . . . . 0.0 111.634 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -68.75 154.48 41.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.37 -23.78 66.01 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.528 0.604 . . . . 0.0 112.076 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.83 -36.58 70.25 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 110.358 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -91.83 -32.12 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.93 -170.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.9 -40.33 72.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 117.916 0.325 . . . . 0.0 110.495 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.8 -20.85 66.61 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.413 -0.18 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.42 -36.87 17.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 119.07 -0.49 . . . . 0.0 111.749 -176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.534 0.344 0 CA-C-N 118.759 0.709 . . . . 0.0 109.606 176.796 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.76 109.26 11.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.58 144.87 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.91 134.93 27.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.0 p -91.38 145.63 24.47 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -146.52 127.37 14.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -79.88 148.74 31.19 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 m -57.86 129.99 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.95 43.02 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.755 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -112.25 -176.92 3.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.395 1.097 . . . . 0.0 111.048 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -141.46 169.84 16.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -145.1 165.54 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.355 1.862 . . . . 0.0 107.418 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.22 153.56 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.485 -0.76 . . . . 0.0 112.427 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -142.66 142.6 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.72 -140.3 38.03 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.364 -1.095 . . . . 0.0 110.364 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.34 10.69 5.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.47 0.708 . . . . 0.0 109.548 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -139.87 9.1 2.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.972 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.12 146.05 34.46 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 118.77 0.714 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -138.92 154.23 48.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.81 149.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 83.3 m -141.93 150.93 42.12 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -111.6 97.32 5.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.99 -33.68 74.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.11 -175.46 36.9 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.787 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.29 161.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.342 0.269 0 CA-C-N 117.154 0.477 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 m -153.09 107.13 3.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.41 -104.76 1.04 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -116.77 -3.59 11.7 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.583 0.753 . . . . 0.0 109.987 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 26.6 mt-30 -73.84 152.89 40.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 173.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -144.81 120.37 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -82.1 122.95 28.5 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 170.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.11 140.64 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.76 147.73 18.91 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -135.57 144.86 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -135.42 103.0 5.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.78 155.23 56.18 Favored Pre-proline 0 N--CA 1.449 -0.476 0 C-N-CA 123.604 0.762 . . . . 0.0 109.331 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.7 152.5 58.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.082 2.521 . . . . 0.0 110.231 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.61 -2.15 3.26 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.446 -0.159 . . . . 0.0 110.728 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.61 -11.45 60.06 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.988 0.915 . . . . 0.0 110.651 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.29 160.9 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.691 0.796 . . . . 0.0 109.286 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.7 157.23 17.33 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.3 131.24 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -159.1 165.59 33.49 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 122.774 0.429 . . . . 0.0 111.687 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -67.37 159.67 28.93 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 168.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.53 -33.82 73.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.63 0.372 . . . . 0.0 111.337 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 -14.26 60.08 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -102.34 -33.95 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 123.133 0.573 . . . . 0.0 109.697 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -55.32 -39.22 69.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.398 -0.189 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.28 -21.71 66.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.622 0.192 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.39 -35.7 24.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.164 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 119.867 -0.111 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.6 112.5 15.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -87.71 144.86 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.37 133.73 29.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 170.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -87.61 148.14 24.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 172.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.425 ' HD3' HG13 ' C' ' 12' ' ' ILE . 36.4 ttp180 -148.08 155.93 42.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.452 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.3 tptm -109.81 144.14 38.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.4 t -53.25 113.34 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.28 6.52 8.88 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.789 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -121.73 -168.04 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.437 1.119 . . . . 0.0 111.54 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 53.7 m -152.81 168.51 25.51 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.444 0.698 . . . . 0.0 111.691 -170.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.425 HG13 ' HD3' ' C' ' 6' ' ' ARG . 31.2 mt -145.36 165.25 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.449 1.9 . . . . 0.0 107.706 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.85 153.34 52.08 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.885 0.474 . . . . 0.0 111.263 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -143.6 143.94 23.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.98 -138.25 45.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -130.34 10.06 5.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.538 0.735 . . . . 0.0 110.041 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.61 9.75 2.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.079 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.28 34.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 119.152 0.887 . . . . 0.0 110.922 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -138.51 153.69 48.76 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -133.61 149.61 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -138.28 154.71 49.03 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 tp -115.31 90.06 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.576 0.75 . . . . 0.0 109.048 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.0 -23.99 63.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.973 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 153.93 -173.45 32.56 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.284 177.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.57 159.68 42.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -147.18 83.58 1.57 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.4 -118.21 5.21 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 107.547 -2.221 . . . . 0.0 107.547 -171.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.81 0.45 41.59 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.01 160.48 27.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 109.573 172.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.43 119.01 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -80.23 116.01 20.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -116.19 142.0 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.7 149.65 18.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.86 145.4 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.43 102.62 5.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.28 154.93 57.91 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.71 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.44 152.13 65.59 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 122.758 2.305 . . . . 0.0 109.76 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.65 -2.82 3.87 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 122.413 -0.179 . . . . 0.0 110.536 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.18 -11.33 59.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.067 0.947 . . . . 0.0 110.896 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.47 160.83 31.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.442 0.697 . . . . 0.0 109.224 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.17 155.36 18.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 111.682 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.35 132.02 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -156.89 167.41 30.55 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -69.74 163.15 26.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -65.5 -24.15 67.07 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.298 -0.251 . . . . 0.0 111.276 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.8 -48.55 30.65 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.496 0.665 . . . . 0.0 110.021 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.4 -33.18 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.129 -173.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.21 -42.92 77.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.0 -0.437 . . . . 0.0 110.883 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.82 -20.76 66.36 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.464 -0.148 . . . . 0.0 110.774 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.61 -37.22 23.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.834 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.44 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.9 tpp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.33 109.64 11.99 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.96 146.19 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -139.52 162.69 34.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -125.0 139.5 53.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -143.45 139.03 29.7 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.458 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -81.34 152.7 27.39 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.78 130.48 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 118.731 -1.187 . . . . 0.0 110.34 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.94 -14.76 37.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.875 0.75 . . . . 0.0 112.199 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -84.51 179.5 7.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.96 0.88 . . . . 0.0 111.167 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 m -140.49 167.17 22.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -142.54 165.23 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.994 1.718 . . . . 0.0 107.189 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -137.77 153.38 49.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.701 -0.624 . . . . 0.0 112.175 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -144.39 142.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.082 0.953 . . . . 0.0 108.517 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.64 -140.08 41.33 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -129.77 10.78 5.59 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.521 0.728 . . . . 0.0 109.748 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -141.25 8.7 2.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.304 0.641 . . . . 0.0 111.91 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 146.3 34.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.852 0.751 . . . . 0.0 110.379 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -139.99 156.39 46.65 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.371 1.068 . . . . 0.0 108.136 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.5 mm -135.97 148.6 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -143.86 125.04 14.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.11 95.58 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.1 -32.06 72.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.129 -0.357 . . . . 0.0 111.094 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -171.57 35.07 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.629 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.19 162.59 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.867 0.467 . . . . 0.0 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -153.21 92.45 1.62 Allowed 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 -119.45 6.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -170.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.74 -0.21 34.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.849 0.325 . . . . 0.0 110.53 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 24.8 mt-30 -79.76 154.91 28.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.29 122.56 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.9 mtm180 -83.2 122.23 28.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 170.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.42 124.18 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 149.21 18.78 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.3 mt -133.59 145.43 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.03 103.42 5.35 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.35 152.87 51.24 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.709 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -67.59 151.51 79.39 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.656 2.238 . . . . 0.0 108.99 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -6.09 5.96 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.71 -10.4 36.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.741 1.216 . . . . 0.0 111.553 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m -137.13 159.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.45 154.36 17.31 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -153.45 131.09 2.33 Favored 'Isoleucine or valine' 0 C--N 1.337 0.058 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -155.81 166.18 34.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.586 0.231 . . . . 0.0 111.303 -175.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -69.25 162.14 27.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.34 -28.97 69.66 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.209 -0.307 . . . . 0.0 110.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.09 -6.14 57.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.691 0.797 . . . . 0.0 112.626 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -116.41 -33.54 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 C-N-CA 124.06 0.944 . . . . 0.0 109.925 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.07 -36.13 67.73 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 117.887 0.312 . . . . 0.0 111.342 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.13 -21.55 66.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 122.352 -0.218 . . . . 0.0 111.041 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.75 -36.27 18.72 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 122.607 0.363 . . . . 0.0 111.554 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.585 -0.245 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.01 104.4 8.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.96 146.43 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.55 155.19 46.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.8 p -116.8 145.06 43.77 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 2.8 mmp_? -143.6 164.66 29.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.433 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 10.8 tptm -113.82 151.79 31.58 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -56.26 119.74 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.096 0.862 . . . . 0.0 110.042 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.37 4.96 21.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.016 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -113.37 -178.77 3.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.536 1.168 . . . . 0.0 110.988 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -143.87 167.44 22.32 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -142.77 165.19 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.3 1.84 . . . . 0.0 107.52 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -134.65 153.5 51.95 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 121.802 -0.561 . . . . 0.0 111.211 -176.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.44 141.78 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -139.37 41.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.23 10.88 5.39 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.579 0.752 . . . . 0.0 109.415 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.41 9.28 2.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.292 0.637 . . . . 0.0 112.054 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.25 146.28 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 118.951 0.796 . . . . 0.0 110.576 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.7 m -140.64 155.67 46.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -133.66 149.24 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 74.6 m -144.57 126.89 15.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.57 96.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.26 -33.13 71.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.307 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.07 -172.43 36.56 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.272 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.93 161.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 122.576 0.35 . . . . 0.0 110.256 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 p -153.73 114.64 4.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.99 -99.29 0.3 Allowed Glycine 0 C--N 1.334 0.421 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -125.96 1.02 7.3 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.26 0.624 . . . . 0.0 110.605 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -74.16 160.29 31.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.65 120.22 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -79.93 121.52 25.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.0 125.73 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.64 150.18 19.29 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 108.646 -1.782 . . . . 0.0 108.646 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.8 mt -135.61 145.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -134.97 105.35 6.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.79 155.31 48.26 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 123.837 0.855 . . . . 0.0 108.999 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.71 152.66 59.06 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.008 2.472 . . . . 0.0 110.277 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.89 -5.21 8.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.983 -0.448 . . . . 0.0 110.372 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -9.28 44.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.106 0.963 . . . . 0.0 111.082 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 161.33 28.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.637 0.775 . . . . 0.0 109.006 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.51 156.35 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.15 -0.344 . . . . 0.0 111.515 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.14 132.04 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -157.88 164.71 36.65 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.577 0.351 . . . . 0.0 110.413 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 4.9 ptp85 -72.7 163.64 27.77 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 171.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.45 -24.87 65.56 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.4 tp10 -70.85 -51.75 24.57 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.645 0.657 . . . . 0.0 110.605 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -74.4 -32.28 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.956 -171.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.3 -40.89 68.33 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.412 0.551 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.9 -20.69 65.96 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.0 -0.091 . . . . 0.0 111.103 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.1 -34.03 22.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 122.744 0.418 . . . . 0.0 111.822 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.812 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.9 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.901 -0.037 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.26 110.64 13.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.16 144.56 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.23 134.76 28.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -92.96 142.98 26.7 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -149.07 134.35 18.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -83.56 151.63 25.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.18 134.07 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.81 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.74 -0.62 52.37 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.286 -0.73 . . . . 0.0 112.965 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -109.18 -175.96 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.485 1.142 . . . . 0.0 110.489 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -140.88 169.57 17.38 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -171.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -143.89 165.68 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 126.441 1.896 . . . . 0.0 107.559 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -133.11 153.42 51.53 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.376 -0.828 . . . . 0.0 112.145 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -144.56 140.41 23.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.651 0.78 . . . . 0.0 109.016 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.3 -140.46 42.62 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -130.58 10.7 5.21 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.079 0.551 . . . . 0.0 109.869 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -140.09 9.21 2.32 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.412 0.685 . . . . 0.0 111.655 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.96 148.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.77 0.714 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -140.68 156.24 46.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.69 149.11 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -174.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.13 150.42 44.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.5 90.44 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.66 -31.04 71.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.445 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -171.74 35.5 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.964 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.94 160.44 42.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -146.37 81.15 1.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.99 -118.85 6.15 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -171.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -93.82 -4.55 49.96 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -80.91 149.66 29.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.9 124.71 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -85.41 120.98 27.48 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 170.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.46 141.59 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.92 150.78 18.46 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -135.85 145.3 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.21 103.7 5.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.13 155.67 54.75 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.109 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.21 152.96 51.03 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.279 2.652 . . . . 0.0 110.397 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? -65.79 -4.42 6.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.246 -0.284 . . . . 0.0 110.686 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.23 -9.9 50.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.746 172.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -138.52 161.01 31.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.536 0.734 . . . . 0.0 109.474 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.72 156.17 18.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.56 133.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -157.35 165.9 34.54 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 112.066 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -64.91 157.04 29.11 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.81 -24.51 67.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.802 0.274 . . . . 0.0 111.392 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -72.05 -46.9 55.2 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.53 0.681 . . . . 0.0 110.026 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.12 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.841 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.4 -41.06 72.2 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.195 0.452 . . . . 0.0 110.959 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.92 -21.04 66.0 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.483 -0.135 . . . . 0.0 110.972 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -84.25 -34.06 23.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.807 0.443 . . . . 0.0 111.328 -176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.136 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 108.42 10.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.5 146.67 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.31 155.12 46.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -118.26 144.77 45.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.09 165.43 36.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -107.5 154.86 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -56.18 124.24 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 -3.46 24.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.632 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -104.18 -179.31 3.91 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.545 1.172 . . . . 0.0 112.179 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -138.76 165.65 26.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mt -144.12 165.86 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.383 1.873 . . . . 0.0 108.165 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.18 153.38 51.98 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 121.521 0.676 . . . . 0.0 112.221 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.11 144.39 23.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -138.85 40.23 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -129.93 10.62 5.5 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.337 0.655 . . . . 0.0 109.594 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.88 9.75 1.96 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.213 0.605 . . . . 0.0 111.938 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 146.66 33.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.218 0.917 . . . . 0.0 110.388 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.0 m -138.45 155.88 48.06 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.357 1.063 . . . . 0.0 108.303 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -133.32 149.15 31.06 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -176.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -139.96 151.89 45.89 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 6.1 tp -115.12 89.95 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.88 -32.33 73.78 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.47 -173.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.74 -170.24 35.23 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.91 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.11 164.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.026 0 C-N-CA 122.972 0.509 . . . . 0.0 110.163 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -152.94 102.64 2.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.14 -111.05 3.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.51 0.35 20.86 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.938 0.495 . . . . 0.0 111.046 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -80.01 156.78 27.0 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -143.1 120.79 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -80.59 119.22 22.94 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.83 141.57 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.44 149.93 18.51 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 1' ' ' MET . 69.5 mt -137.19 145.15 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -135.82 105.68 6.22 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.18 155.89 50.57 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.59 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.58 151.46 58.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.928 2.419 . . . . 0.0 110.144 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -64.65 -2.43 2.43 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 122.16 -0.337 . . . . 0.0 110.642 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.83 -11.47 60.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.013 0.925 . . . . 0.0 110.7 173.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.24 160.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 C-N-CA 123.619 0.768 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 156.13 17.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 111.545 -175.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.83 133.85 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -158.06 172.95 17.49 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.373 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.28 160.25 32.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.47 -28.2 69.04 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.73 -9.7 59.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.916 0.886 . . . . 0.0 112.167 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.45 -34.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 C-N-CA 123.707 0.803 . . . . 0.0 109.957 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -54.71 -38.93 67.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.036 0.38 . . . . 0.0 111.411 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.86 -21.93 66.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.444 -0.16 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -87.01 -30.6 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.646 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 tpp . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 105.4 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.28 147.33 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -140.9 161.06 38.71 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -120.08 144.97 47.31 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -147.79 137.03 22.31 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.409 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -87.52 150.21 23.87 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.44 131.38 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.86 0.33 42.14 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.291 -0.727 . . . . 0.0 113.242 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -112.32 -176.66 2.97 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.537 1.169 . . . . 0.0 110.495 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -140.83 169.8 16.95 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.3 mt -143.99 165.07 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.242 1.817 . . . . 0.0 107.469 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -136.85 153.63 50.72 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.701 . . . . 0.0 112.36 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -141.91 144.1 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.312 1.045 . . . . 0.0 108.539 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.32 -140.27 40.1 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -130.25 10.73 5.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.483 0.713 . . . . 0.0 109.722 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.1 9.25 2.53 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.443 0.697 . . . . 0.0 111.902 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.95 146.21 34.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.08 0.854 . . . . 0.0 110.513 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -138.41 155.66 48.29 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.047 0.939 . . . . 0.0 108.469 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.72 147.36 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -143.9 120.9 11.37 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 22' ' ' ILE . 3.0 tp -76.61 93.84 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.44 -29.82 69.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.146 -0.346 . . . . 0.0 111.317 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.98 -170.17 34.8 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.678 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.72 164.43 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.87 96.48 2.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -115.8 7.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 108.368 -1.893 . . . . 0.0 108.368 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -103.93 0.98 30.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.116 0.458 . . . . 0.0 110.15 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -78.79 160.35 27.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -139.98 120.15 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -80.94 118.78 22.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -120.1 122.94 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.72 149.5 19.32 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.16 145.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -135.3 104.25 5.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.75 154.06 51.29 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.843 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.94 151.74 68.16 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.783 2.322 . . . . 0.0 110.256 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.28 -2.81 3.32 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.94 -11.96 59.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.23 1.012 . . . . 0.0 110.971 173.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -138.64 160.37 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.858 0.863 . . . . 0.0 109.556 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.66 157.07 16.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.946 0.403 . . . . 0.0 111.516 -175.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.25 133.16 3.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -157.15 167.23 30.99 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 122.722 0.409 . . . . 0.0 111.099 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -69.54 160.64 31.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 169.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.04 -23.58 65.9 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.187 -0.32 . . . . 0.0 110.786 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.54 -3.43 58.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.335 0.654 . . . . 0.0 111.866 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -118.57 -33.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 123.693 0.797 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -56.35 -38.85 71.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.001 -0.437 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.88 -21.05 66.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.44 -0.162 . . . . 0.0 111.017 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -87.02 -36.36 18.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.628 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 CA--C 1.53 0.179 0 CA-C-N 118.536 0.607 . . . . 0.0 109.513 176.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.69 108.42 11.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.59 147.33 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.3 159.19 42.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -117.89 142.22 47.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.7 128.61 15.41 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.353 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -79.34 149.25 31.79 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -57.56 132.28 21.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 O-C-N 121.763 -0.586 . . . . 0.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 -0.4 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.969 -0.906 . . . . 0.0 112.903 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -108.85 -176.55 3.07 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.323 1.061 . . . . 0.0 110.664 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.3 m -139.69 167.52 21.91 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -171.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -143.64 165.7 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.287 1.835 . . . . 0.0 107.26 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.31 153.86 47.81 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.685 -0.635 . . . . 0.0 112.218 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.16 142.92 27.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 -140.68 37.22 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.41 12.5 5.47 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.614 0.766 . . . . 0.0 110.044 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -137.83 7.91 2.76 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.664 0.786 . . . . 0.0 111.909 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.28 146.43 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.279 0.945 . . . . 0.0 110.799 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -139.84 156.58 46.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.263 1.025 . . . . 0.0 108.254 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -136.0 147.12 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 55.6 m -142.78 123.3 14.01 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -78.74 93.62 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.45 -30.49 70.22 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.69 -170.07 34.62 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.407 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.96 162.32 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 122.558 0.343 . . . . 0.0 110.272 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -146.6 82.68 1.59 Allowed 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -111.86 3.44 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -171.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.23 -1.92 26.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.937 0.369 . . . . 0.0 110.426 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -78.58 155.52 29.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.5 t -142.71 118.81 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -78.5 118.94 21.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -121.14 123.35 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.96 149.85 19.17 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.2 145.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.3 105.09 5.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.56 156.16 52.94 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.948 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.17 151.73 55.4 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.864 2.376 . . . . 0.0 110.279 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.22 -5.79 5.6 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.219 -0.301 . . . . 0.0 110.563 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.72 -8.59 36.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.085 0.954 . . . . 0.0 111.213 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.65 160.33 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.234 0.614 . . . . 0.0 109.784 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.38 156.79 16.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 111.341 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 133.71 4.47 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -156.95 165.62 35.65 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.697 0.284 . . . . 0.0 111.696 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -67.15 155.58 38.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -65.31 -23.39 67.0 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.767 -0.583 . . . . 0.0 110.435 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.41 -2.85 54.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.305 0.642 . . . . 0.0 111.93 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.4 mm -119.6 -35.71 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 124.252 1.021 . . . . 0.0 110.033 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -56.98 -37.44 71.61 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.975 -0.453 . . . . 0.0 110.852 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.57 -22.93 67.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.23 -0.293 . . . . 0.0 110.834 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -87.16 -35.03 18.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.211 0.604 . . . . 0.0 111.833 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 CA--C 1.531 0.236 0 CA-C-N 119.011 0.823 . . . . 0.0 109.074 176.729 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.85 -0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 104.29 9.45 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.86 147.33 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.112 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -141.34 155.84 45.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.6 p -115.61 141.06 48.57 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.05 128.16 15.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.87 149.8 32.37 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -56.59 138.11 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.076 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -3.85 58.42 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.812 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -104.3 -175.53 2.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.518 1.159 . . . . 0.0 110.353 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.54 167.77 21.37 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -172.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -144.16 165.38 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 125.97 1.708 . . . . 0.0 107.533 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.9 154.0 49.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.655 -0.653 . . . . 0.0 112.227 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.3 mt -142.31 144.7 24.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -139.25 41.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.35 10.69 5.31 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.662 0.785 . . . . 0.0 109.438 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -139.63 8.39 2.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.42 0.688 . . . . 0.0 111.997 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.26 145.74 35.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 119.081 0.855 . . . . 0.0 110.514 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -137.73 154.98 49.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -135.43 148.54 28.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -176.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.8 m -143.63 124.83 14.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -79.26 93.37 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.07 -32.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.884 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.37 -172.42 35.36 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.294 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.63 161.9 39.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 122.83 0.452 . . . . 0.0 110.448 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -150.08 105.5 3.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.47 0.34 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 -173.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -126.32 2.7 7.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.409 0.684 . . . . 0.0 110.506 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -73.93 160.44 31.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -141.36 124.74 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -90.06 125.06 35.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 169.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -127.57 127.96 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.3 148.68 18.79 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.65 144.86 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -135.75 103.99 5.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.14 155.37 54.81 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.169 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.64 152.51 59.33 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.676 2.251 . . . . 0.0 110.007 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.85 -3.55 5.26 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.471 0.177 . . . . 0.0 110.534 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.55 -8.25 45.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 111.27 172.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.1 160.67 29.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.157 0.583 . . . . 0.0 109.505 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.96 156.05 17.61 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 111.721 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.86 133.23 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -157.34 168.03 28.55 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.559 0.695 . . . . 0.0 112.803 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -66.86 149.89 49.95 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 167.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -58.63 -34.55 71.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.584 -0.698 . . . . 0.0 111.824 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.2 -12.12 60.04 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.3 -34.62 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 123.296 0.639 . . . . 0.0 109.611 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.32 -43.73 75.2 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 118.003 0.365 . . . . 0.0 110.76 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.85 -20.66 65.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -81.7 -37.64 27.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.971 -178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.179 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 110.6 12.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.65 146.72 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.186 0.594 . . . . 0.0 109.598 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -140.46 158.86 43.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.6 p -122.65 143.61 49.66 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 110.018 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -155.77 161.83 40.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.881 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -99.82 164.56 11.97 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.92 140.22 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.732 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.15 -7.19 64.26 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 123.747 0.689 . . . . 0.0 112.718 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -86.01 -170.64 3.19 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.132 0.966 . . . . 0.0 112.798 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -150.43 157.75 43.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.928 0.891 . . . . 0.0 111.115 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mm -144.91 165.24 12.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.731 1.612 . . . . 0.0 107.849 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.66 151.89 51.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.681 0.673 . . . . 0.0 111.818 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -144.62 141.64 23.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.02 -138.92 44.33 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.57 10.34 5.17 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.8 8.82 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.324 0.65 . . . . 0.0 111.849 -174.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.71 144.57 36.98 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -141.09 155.76 46.09 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -131.05 149.32 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -174.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -134.74 147.49 50.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.41 90.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.25 -29.03 70.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.5 -169.4 33.36 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.394 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.99 162.85 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.022 0 C-N-CA 122.673 0.389 . . . . 0.0 109.977 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -151.3 106.69 3.34 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.29 -97.66 0.34 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -173.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -125.35 0.31 7.68 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.21 160.06 32.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.45 116.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -79.2 111.73 15.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.25 121.52 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.92 149.52 19.38 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -134.52 145.14 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -134.22 102.0 5.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.51 155.28 49.38 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.49 151.8 53.64 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.062 2.508 . . . . 0.0 110.425 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.89 -5.31 5.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.218 -0.301 . . . . 0.0 110.608 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -8.9 36.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.239 1.016 . . . . 0.0 111.429 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.11 160.52 29.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 123.641 0.776 . . . . 0.0 109.388 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.87 16.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 111.541 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.19 132.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -157.25 167.83 29.19 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.75 0.31 . . . . 0.0 111.025 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -70.87 160.21 33.22 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -66.06 -23.58 66.56 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.995 -0.441 . . . . 0.0 110.437 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.11 -2.89 57.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.415 0.686 . . . . 0.0 111.908 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.3 mm -119.31 -34.16 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 124.063 0.945 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.59 -38.6 72.24 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.921 0.328 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.06 -20.88 66.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.48 -0.137 . . . . 0.0 110.857 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.99 -37.39 17.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.61 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 118.875 0.761 . . . . 0.0 109.408 177.18 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 tpp . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 108.89 11.82 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.81 144.65 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.01 134.57 26.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -92.01 147.05 23.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 1.9 tpm_? -150.31 141.67 23.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 8.9 tptm -90.82 151.56 21.12 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 m -57.4 135.4 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.46 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.22 -0.767 . . . . 0.0 112.851 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -114.89 -175.72 2.75 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.41 1.105 . . . . 0.0 110.74 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -141.38 170.61 15.41 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -144.36 165.45 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.346 1.859 . . . . 0.0 107.458 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -137.57 153.42 49.95 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.507 -0.745 . . . . 0.0 112.069 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.8 mt -142.97 142.62 25.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -141.14 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.95 11.36 5.58 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.308 0.643 . . . . 0.0 110.301 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.55 7.56 2.8 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.768 0.827 . . . . 0.0 111.615 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.52 147.7 33.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 CA-C-N 119.277 0.944 . . . . 0.0 110.274 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.2 m -139.83 154.46 47.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.23 149.14 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m -140.41 149.18 42.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.18 89.26 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 mt -65.13 -32.19 73.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.298 -173.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.4 -170.45 36.41 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.631 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.18 164.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 123.075 0.55 . . . . 0.0 109.752 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -152.75 86.97 1.27 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.92 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.57 0.16 35.94 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -75.78 160.19 30.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.153 0.501 . . . . 0.0 110.449 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -142.37 120.5 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.3 mtm180 -83.74 121.18 26.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 169.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.19 142.55 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.87 151.29 18.04 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.06 145.11 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.62 103.73 5.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.14 155.57 58.3 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.171 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.0 152.12 62.64 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.002 2.468 . . . . 0.0 110.346 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.41 -3.55 4.43 Favored 'General case' 0 CA--C 1.528 0.102 0 O-C-N 122.374 -0.204 . . . . 0.0 110.655 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.96 -11.2 55.92 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.193 0.997 . . . . 0.0 110.818 172.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.21 160.7 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.895 0.878 . . . . 0.0 109.594 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.24 157.24 17.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.977 0.418 . . . . 0.0 111.479 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.17 132.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -157.1 163.15 39.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.641 0.258 . . . . 0.0 111.635 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -64.47 161.76 16.57 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.4 -30.22 70.54 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -78.71 -9.01 59.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -112.13 -32.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 110.101 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.08 -37.15 71.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 117.777 0.262 . . . . 0.0 111.193 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.62 -20.88 66.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.085 -0.052 . . . . 0.0 110.984 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.26 -37.13 17.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.567 0.347 . . . . 0.0 111.334 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.8 mp . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.84 107.96 10.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.51 143.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.83 134.4 26.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -97.8 147.19 24.65 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.505 ' HE ' ' CG2' ' C' ' 22' ' ' ILE . 8.1 ptt180 -152.1 -178.0 6.51 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.771 173.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.83 153.14 46.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -173.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.76 124.18 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.997 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.8 3.45 30.23 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.475 -0.625 . . . . 0.0 112.677 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -110.86 -176.54 2.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.245 1.022 . . . . 0.0 111.628 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -149.03 167.59 25.42 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.971 0.508 . . . . 0.0 112.332 -174.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.467 HD12 HH11 ' C' ' 6' ' ' ARG . 10.8 mt -145.61 164.47 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.725 1.61 . . . . 0.0 107.855 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -130.7 153.53 48.89 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.386 0.612 . . . . 0.0 111.736 -175.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -142.99 139.6 27.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.19 -140.53 35.63 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -130.08 11.88 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.323 0.649 . . . . 0.0 110.462 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -137.32 7.98 2.88 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.647 0.779 . . . . 0.0 112.306 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.96 143.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.047 0.84 . . . . 0.0 110.577 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -139.84 154.36 47.3 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.43 149.26 32.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -140.41 153.15 46.22 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 122.871 0.468 . . . . 0.0 110.123 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 3.3 tp -112.4 97.76 6.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.92 -30.14 65.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.449 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.53 -169.83 35.05 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.08 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.77 165.75 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 123.036 0.534 . . . . 0.0 110.26 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.96 101.45 2.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.91 -111.69 4.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -170.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.402 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 2.0 mp0 -107.97 0.24 21.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 122.749 0.419 . . . . 0.0 111.183 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -79.45 157.44 27.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.9 t -143.07 118.92 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -78.91 114.67 18.04 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 mt -114.44 141.06 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.57 150.48 18.06 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -136.32 145.45 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -135.62 103.53 5.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.62 155.62 52.85 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.366 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.11 151.1 61.04 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.367 2.711 . . . . 0.0 110.25 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.51 -3.83 3.44 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.305 -0.247 . . . . 0.0 110.417 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.21 -11.36 57.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.957 0.903 . . . . 0.0 111.126 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.97 160.37 33.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 123.679 0.791 . . . . 0.0 109.663 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.31 156.59 16.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.731 0.301 . . . . 0.0 111.339 -175.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 131.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -157.1 164.11 38.24 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 122.816 0.446 . . . . 0.0 110.762 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.75 163.25 27.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -64.64 -24.74 67.68 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -172.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -86.69 -3.76 59.08 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.919 0.781 . . . . 0.0 112.166 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 mm -112.31 -33.65 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 C-N-CA 123.141 0.576 . . . . 0.0 109.896 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.89 -39.54 71.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.0 0.364 . . . . 0.0 110.962 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.43 -20.69 65.78 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.886 0.116 . . . . 0.0 110.948 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -86.76 -35.77 18.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.734 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp . . . . . 0 CA--C 1.533 0.324 0 CA-C-N 118.67 0.668 . . . . 0.0 109.268 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.23 111.29 15.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.05 147.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.079 0.552 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.75 158.42 43.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -122.27 138.54 54.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.417 HH21 ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -153.96 144.18 22.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.466 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -82.74 159.93 22.44 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.268 1.027 . . . . 0.0 108.961 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.37 145.81 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.568 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 -2.22 86.23 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.901 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -97.08 -171.93 2.33 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.636 1.218 . . . . 0.0 112.128 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.417 ' HA ' HH21 ' A' ' 6' ' ' ARG . 69.5 m -142.35 158.3 43.86 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.48 0.712 . . . . 0.0 111.256 -169.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.8 mm -146.7 165.2 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.6 1.56 . . . . 0.0 107.203 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -139.75 153.4 47.17 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.975 0.807 . . . . 0.0 112.51 -175.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.47 146.36 20.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.617 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 -142.39 39.03 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -128.43 10.56 6.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.595 0.758 . . . . 0.0 109.525 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.72 10.19 1.8 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.59 0.756 . . . . 0.0 111.782 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.83 145.39 35.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.093 0.86 . . . . 0.0 110.883 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 m -137.35 154.23 50.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -132.73 148.24 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -135.79 154.79 51.1 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -118.19 96.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.61 -29.35 69.37 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.509 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.85 -170.99 33.16 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.216 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.13 162.28 40.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.113 0 C-N-CA 122.661 0.384 . . . . 0.0 110.412 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -150.78 105.47 3.28 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.36 -97.08 0.36 Allowed Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 -173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.37 -0.71 6.96 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 123.179 0.592 . . . . 0.0 110.864 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 27.6 mt-30 -72.9 154.38 40.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 172.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.47 114.16 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -77.93 101.98 7.1 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 171.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -99.31 146.44 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.37 150.2 16.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' C' ' 1' ' ' MET . 68.2 mt -135.13 144.89 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -135.29 102.0 5.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.58 153.96 55.63 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.118 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.7 152.09 64.17 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.995 2.464 . . . . 0.0 110.421 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.54 -3.11 4.03 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.332 -0.23 . . . . 0.0 110.416 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.59 -11.87 59.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.155 0.982 . . . . 0.0 110.732 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.94 161.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.094 0.958 . . . . 0.0 109.317 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.84 157.53 17.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.859 0.362 . . . . 0.0 111.324 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.13 136.26 7.47 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -157.91 164.43 36.89 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.457 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -74.44 163.23 28.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 169.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.09 -23.82 66.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.37 0.1 56.57 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.333 0.515 . . . . 0.0 111.839 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -118.29 -33.85 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 123.712 0.805 . . . . 0.0 109.458 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.17 -46.72 72.4 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.217 -0.302 . . . . 0.0 110.72 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -61.34 -24.24 66.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.01 0.524 . . . . 0.0 111.464 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.99 -43.13 55.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 45.6 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.754 -0.165 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.69 110.89 14.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 174.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.28 145.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.322 0.649 . . . . 0.0 109.628 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.96 134.62 26.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -93.82 145.66 24.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.596 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 1.3 tpm_? -149.16 131.15 15.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.426 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.4 tptm -80.98 147.69 30.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -55.56 138.39 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.151 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.67 -9.39 55.46 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.062 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -101.3 -174.46 2.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.369 1.085 . . . . 0.0 111.151 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.44 169.67 17.24 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -145.94 165.44 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 107.64 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -138.63 153.66 48.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.509 -0.745 . . . . 0.0 112.084 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -143.21 144.78 23.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.5 -139.84 44.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.98 10.26 5.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.564 0.745 . . . . 0.0 109.373 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -141.87 8.92 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.742 0.817 . . . . 0.0 111.995 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.7 147.01 33.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 119.132 0.878 . . . . 0.0 111.098 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -138.78 155.22 48.36 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.368 1.067 . . . . 0.0 108.226 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.88 147.06 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -142.72 119.63 11.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -76.51 91.19 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.87 -31.19 72.3 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.053 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.42 -170.29 33.96 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.866 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.06 165.2 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.604 0.361 . . . . 0.0 110.475 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -153.21 105.06 2.85 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.26 -96.66 0.41 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -126.1 1.17 7.2 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 123.498 0.719 . . . . 0.0 110.587 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -72.62 160.61 31.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.95 120.61 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -83.77 120.77 26.44 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 170.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -123.9 122.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.77 147.2 18.51 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 108.104 -1.998 . . . . 0.0 108.104 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.14 144.33 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -135.56 105.1 6.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.98 156.33 51.25 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.098 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.34 152.83 55.72 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.064 2.51 . . . . 0.0 110.007 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.37 -5.08 6.53 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.025 -0.422 . . . . 0.0 110.407 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -68.14 -8.02 34.88 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.721 0.809 . . . . 0.0 110.893 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.12 160.66 29.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 C-N-CA 123.601 0.761 . . . . 0.0 109.615 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.61 16.64 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.694 -176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 130.02 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -157.56 171.26 20.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 112.001 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -72.94 162.33 29.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.21 -34.26 76.13 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.027 -0.421 . . . . 0.0 110.773 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -78.83 -9.75 59.57 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -106.58 -32.49 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 C-N-CA 123.395 0.678 . . . . 0.0 109.659 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.57 -41.9 77.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.213 -0.305 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.35 -21.18 66.11 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.349 -0.22 . . . . 0.0 111.323 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -84.39 -36.12 22.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.332 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.622 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 tpp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.642 -0.133 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.36 108.79 11.15 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.75 146.44 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.144 0.578 . . . . 0.0 109.446 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -141.93 158.97 43.15 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 174.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 p -120.89 141.61 50.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.3 mmp_? -144.69 134.4 23.54 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -76.62 154.08 34.69 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 m -59.58 131.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 118.617 -1.233 . . . . 0.0 110.118 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.64 -16.03 37.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.583 0.611 . . . . 0.0 112.419 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -84.76 -178.7 6.93 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.027 0.913 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -143.26 167.42 22.17 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.451 0.643 . . . . 0.0 112.507 -174.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' C' ' 44' ' ' ARG . 29.2 mm -142.98 165.2 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.364 1.865 . . . . 0.0 107.627 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.11 153.97 46.87 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.628 -0.67 . . . . 0.0 112.297 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -143.37 142.96 25.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.07 0.948 . . . . 0.0 108.701 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -140.74 41.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.38 10.8 5.31 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.279 0.632 . . . . 0.0 109.858 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -138.99 8.29 2.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.736 0.815 . . . . 0.0 112.024 -177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.63 146.24 34.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 118.782 0.719 . . . . 0.0 110.605 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.0 m -138.15 155.11 49.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.339 1.055 . . . . 0.0 108.233 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mm -136.3 148.5 27.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.6 m -144.01 129.8 19.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -82.48 93.04 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.96 -30.62 71.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.07 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.25 -169.18 33.72 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.811 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.24 162.42 39.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.776 0.43 . . . . 0.0 110.191 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -152.9 94.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.55 -123.97 9.37 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 -170.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.22 2.0 45.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -79.63 160.36 26.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.06 120.12 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -79.51 117.41 20.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 171.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.08 128.95 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.07 150.13 16.82 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -134.05 145.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.66 103.46 5.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.92 154.02 54.54 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 123.867 0.867 . . . . 0.0 108.7 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -66.57 150.47 83.91 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.782 2.321 . . . . 0.0 109.39 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -5.86 4.78 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.176 -0.327 . . . . 0.0 110.208 177.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.96 -10.73 41.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.921 1.288 . . . . 0.0 111.531 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -136.48 159.39 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.15 153.72 17.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.323 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.2 p -153.41 132.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -155.86 164.14 38.9 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 122.897 0.479 . . . . 0.0 110.017 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -77.52 160.24 28.76 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.1 -24.16 66.03 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -169.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -85.98 -5.6 59.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.241 0.928 . . . . 0.0 111.965 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -111.3 -33.85 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.31 0.644 . . . . 0.0 109.715 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.7 -40.5 72.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.054 0.388 . . . . 0.0 111.163 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -64.13 -20.48 66.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.232 0.213 . . . . 0.0 111.145 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -85.88 -36.58 19.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.142 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.627 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.33 106.11 9.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.41 144.87 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.363 0.665 . . . . 0.0 109.258 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.22 134.56 27.82 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -93.24 147.87 22.53 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -149.74 135.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.44 149.42 25.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.25 129.05 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.0 0.56 35.94 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.999 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -112.92 -174.91 2.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.495 1.148 . . . . 0.0 110.687 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -140.82 170.49 15.65 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.0 mt -144.35 165.36 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.643 1.977 . . . . 0.0 107.691 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -139.75 153.74 47.25 Favored 'General case' 0 C--N 1.338 0.093 0 O-C-N 121.707 -0.621 . . . . 0.0 112.252 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -143.25 142.73 25.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.39 -141.31 34.9 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.73 11.23 5.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.356 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -136.58 7.59 3.04 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.69 0.796 . . . . 0.0 111.881 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.81 146.67 33.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 CA-C-N 119.2 0.909 . . . . 0.0 110.594 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -138.42 155.59 48.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -136.54 149.23 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -141.53 151.21 43.05 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.02 90.17 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.04 -31.19 72.3 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.042 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.02 34.33 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.718 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.97 163.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.838 0.455 . . . . 0.0 110.151 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.0 t -153.24 107.2 3.06 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -96.72 0.3 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -126.12 -0.33 7.14 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.278 0.631 . . . . 0.0 110.449 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.22 160.64 32.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.09 120.21 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -80.97 116.51 20.97 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -117.34 136.86 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.81 149.96 18.42 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.5 145.04 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -136.59 103.57 5.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.47 155.71 60.58 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.523 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.99 152.03 62.59 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.14 2.56 . . . . 0.0 110.144 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.71 -2.12 3.36 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.202 -0.311 . . . . 0.0 110.755 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.99 -11.3 58.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.91 0.884 . . . . 0.0 110.781 172.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.37 160.72 31.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.7 0.8 . . . . 0.0 109.472 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.46 157.51 16.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.13 135.63 7.92 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -157.8 169.78 23.83 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.383 0.273 . . . . 0.0 111.248 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.423 ' HA ' HD13 ' A' ' 12' ' ' ILE . 72.9 mtm-85 -72.02 157.55 37.6 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 170.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.88 -23.3 67.19 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.679 -0.638 . . . . 0.0 110.731 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.43 -4.39 58.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.327 0.651 . . . . 0.0 111.528 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mm -115.45 -35.04 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.288 0.635 . . . . 0.0 110.186 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.55 -37.61 70.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.997 -0.44 . . . . 0.0 110.975 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.76 -20.48 65.96 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 121.958 0.103 . . . . 0.0 110.893 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.14 -35.54 21.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp . . . . . 0 CA--C 1.531 0.226 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.499 -0.185 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.72 104.96 9.31 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 174.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.45 148.13 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -139.09 163.81 31.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -125.35 138.99 54.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.601 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -146.55 133.72 20.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.128 -176.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' CD ' ' HG3' ' C' ' 29' ' ' GLN . 2.8 tptm -80.66 148.1 30.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.6 m -56.37 135.78 19.63 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 119.679 -0.808 . . . . 0.0 109.873 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.57 -5.98 44.64 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.296 -0.724 . . . . 0.0 113.016 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -108.06 -174.59 2.56 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.692 1.246 . . . . 0.0 110.753 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m -140.02 170.3 16.1 Favored 'General case' 0 C--N 1.34 0.187 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -144.49 165.62 12.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 126.446 1.898 . . . . 0.0 107.471 -178.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -138.1 153.89 49.25 Favored 'General case' 0 C--O 1.231 0.121 0 O-C-N 121.463 -0.773 . . . . 0.0 112.12 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.9 mt -142.27 143.72 25.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.66 -140.85 40.07 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -129.76 10.79 5.6 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.316 0.646 . . . . 0.0 109.549 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -139.53 9.14 2.43 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.737 0.815 . . . . 0.0 111.736 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.73 147.02 32.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 119.14 0.882 . . . . 0.0 110.544 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -138.38 154.76 48.92 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.246 1.018 . . . . 0.0 108.429 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.61 148.99 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -176.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -144.33 126.0 15.1 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -79.87 89.37 1.48 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 176.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -64.69 -30.47 71.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.297 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.07 -170.72 34.38 Favored Glycine 0 C--N 1.338 0.652 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.609 174.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.37 163.47 36.83 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 122.795 0.438 . . . . 0.0 110.255 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -153.66 106.82 2.93 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.69 -97.35 0.41 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -126.14 -0.49 7.12 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.281 0.632 . . . . 0.0 110.677 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.88 160.42 32.59 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.2 119.51 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -79.31 119.83 22.92 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.84 124.58 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.32 148.48 18.89 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 108.409 -1.876 . . . . 0.0 108.409 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' C' ' 1' ' ' MET . 61.9 mt -136.19 145.04 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -136.28 103.32 5.26 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.32 155.28 57.76 Favored Pre-proline 0 N--CA 1.45 -0.432 0 C-N-CA 123.829 0.852 . . . . 0.0 108.873 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.43 151.04 64.98 Favored 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.109 2.539 . . . . 0.0 110.096 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.21 -2.09 2.72 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.113 -0.367 . . . . 0.0 110.48 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.92 -11.29 60.48 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.326 1.051 . . . . 0.0 110.733 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.16 160.49 32.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.663 0.785 . . . . 0.0 109.409 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.75 157.29 16.94 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.938 0.399 . . . . 0.0 111.377 -176.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.36 133.79 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -156.6 170.72 21.73 Favored 'General case' 0 N--CA 1.458 -0.068 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -72.77 160.24 32.5 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.12 -23.37 65.81 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 122.144 -0.347 . . . . 0.0 110.528 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -84.69 -3.31 58.48 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.058 0.543 . . . . 0.0 111.654 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -119.03 -33.54 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 123.735 0.814 . . . . 0.0 110.137 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -56.71 -36.97 70.29 Favored 'General case' 0 N--CA 1.449 -0.524 0 O-C-N 122.188 -0.32 . . . . 0.0 110.97 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -65.22 -20.55 66.49 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.475 -0.141 . . . . 0.0 111.147 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.08 -35.67 18.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.678 0.391 . . . . 0.0 111.396 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.642 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.73 -18.07 22.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -101.82 3.23 39.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.271 0.629 . . . . 0.0 111.374 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.41 -31.26 4.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.479 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 149.5 152.33 5.72 Favored Glycine 0 C--N 1.338 0.683 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 175.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -164.42 172.93 12.75 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.979 0.512 . . . . 0.0 111.253 -177.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -146.56 -2.67 0.65 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.686 0.794 . . . . 0.0 111.104 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.441 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -69.02 -35.72 6.59 Favored Pre-proline 0 CA--C 1.534 0.36 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 54.3 Cg_exo -54.71 171.24 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.288 2.659 . . . . 0.0 113.689 174.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 . . . . . 0 CA--C 1.527 0.093 0 C-N-CA 123.326 0.651 . . . . 0.0 111.756 -179.573 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.432 0 C5'-C4'-C3' 111.644 -2.571 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.538 -3.162 . 0.84 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.57 0 C4'-C3'-C2' 99.627 -3.073 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 111.178 2.978 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.024 -3.676 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.449 0 O4'-C1'-N19 112.033 3.833 . 0.602 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 O4'-C1'-N19 111.759 3.559 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.421 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.193 2.993 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.421 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.338 1 C5'-C4'-C3' 109.272 -4.152 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.214 0 O4'-C1'-N19 111.682 3.482 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C3'-C2'-C1' 103.675 2.416 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 P-O3'-C3' 122.269 2.141 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C3'-C2'-C1' 104.031 2.812 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.723 0 C5'-C4'-C3' 111.657 -2.562 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.394 0 O4'-C1'-N19 110.066 1.866 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 1 C5'-C4'-C3' 108.429 -4.714 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 99.77 -2.93 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.229 -3.471 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.711 0 C4'-C3'-C2' 100.014 -2.686 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 C4'-C3'-C2' 99.583 -3.117 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.328 -3.372 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.736 0 C4'-C3'-C2' 99.875 -2.825 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.4 110.63 13.55 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -89.82 146.48 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -141.03 159.92 41.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 174.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -118.62 142.48 47.59 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.61 127.99 14.92 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.096 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -76.48 150.81 36.6 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 m -58.3 140.15 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 119.42 -0.912 . . . . 0.0 109.795 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.55 -2.82 62.92 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.299 -0.723 . . . . 0.0 112.839 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -105.88 -175.19 2.72 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.489 1.144 . . . . 0.0 110.507 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -139.83 168.15 20.48 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -172.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 33.3 mm -141.75 165.49 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 C-N-CA 126.383 1.873 . . . . 0.0 107.537 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -140.29 153.54 46.51 Favored 'General case' 0 C--N 1.34 0.164 0 O-C-N 121.516 -0.74 . . . . 0.0 112.683 -176.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 108.744 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.62 -140.24 40.99 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.574 -1.011 . . . . 0.0 110.574 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.74 10.71 5.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.655 0.782 . . . . 0.0 109.681 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.67 8.95 1.97 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.491 0.716 . . . . 0.0 111.986 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 144.98 36.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.253 0 CA-C-N 119.205 0.912 . . . . 0.0 110.215 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -137.56 156.03 48.56 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -136.87 147.99 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 40.5 m -142.09 125.3 16.41 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -80.33 91.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.6 mt -66.09 -31.4 72.24 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.932 -175.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.0 -172.86 35.81 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.945 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -135.59 160.64 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 122.718 0.407 . . . . 0.0 110.444 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 50.8 p -153.14 113.93 4.09 Favored 'General case' 0 C--N 1.333 -0.123 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 174.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.79 -100.56 0.45 Allowed Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 -172.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -125.35 -0.48 7.64 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.866 0.466 . . . . 0.0 110.447 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.4 ' HG3' ' CD ' ' A' ' 7' ' ' LYS . 25.6 mt-30 -74.09 154.93 38.97 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -141.87 119.92 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 53.0 mtt85 -78.98 118.47 21.01 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 170.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.3 mt -121.58 119.54 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.44 151.9 20.03 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.4 mt -136.1 145.01 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.48 104.7 5.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.3 154.84 50.07 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.732 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.12 151.93 61.77 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 122.883 2.389 . . . . 0.0 110.141 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.71 -2.28 3.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.338 -0.226 . . . . 0.0 110.522 175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.13 -11.48 59.21 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.253 1.021 . . . . 0.0 110.919 172.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -138.12 160.6 32.61 Favored 'Isoleucine or valine' 0 C--N 1.34 0.17 0 C-N-CA 123.918 0.887 . . . . 0.0 109.397 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.9 156.79 17.18 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.703 0.287 . . . . 0.0 111.481 -175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.38 133.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -158.16 167.54 29.54 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 122.684 0.394 . . . . 0.0 110.975 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -69.75 160.54 31.5 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 169.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -67.05 -23.52 65.89 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.546 0.212 . . . . 0.0 110.983 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -83.85 -5.45 59.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 122.894 0.478 . . . . 0.0 111.919 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 21.8 mm -115.52 -35.18 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.104 0 C-N-CA 123.749 0.82 . . . . 0.0 110.075 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -54.95 -37.72 66.82 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 117.931 0.332 . . . . 0.0 111.183 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -65.44 -20.56 66.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.098 0.159 . . . . 0.0 111.287 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -87.23 -31.54 20.25 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.589 0.356 . . . . 0.0 111.549 -177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.403 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp -65.04 -18.39 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.7 3.57 29.12 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.649 0.779 . . . . 0.0 112.684 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.3 -11.84 13.65 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 141.52 -2.69 2.02 Favored Glycine 0 CA--C 1.527 0.783 0 CA-C-N 119.101 0.864 . . . . 0.0 113.118 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.4 HD22 ' N ' ' C' ' 55' ' ' LEU . 2.3 mm? 63.68 160.39 0.1 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.521 1.528 . . . . 0.0 112.884 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 71.5 p -147.86 4.46 0.75 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.435 1.094 . . . . 0.0 110.048 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.522 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -154.03 44.8 0.25 Allowed Pre-proline 0 CA--C 1.539 0.545 0 CA-C-O 118.572 -0.728 . . . . 0.0 112.139 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 81.8 Cg_exo -47.64 -41.58 30.45 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.779 2.32 . . . . 0.0 113.489 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 123.238 0.615 . . . . 0.0 110.668 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.425 -3.275 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 99.31 -3.39 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 0 C4'-C3'-C2' 99.461 -3.239 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 99.733 -2.967 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.787 0 C4'-C3'-C2' 98.9 -3.8 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.985 3.785 . 0.56 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.325 -3.375 . 0.395 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.427 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.076 2.876 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.427 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.552 1 C5'-C4'-C3' 109.488 -4.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 O4'-C1'-N19 111.816 3.616 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 110.761 2.561 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 O5'-C5'-C4' 112.606 1.719 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C3'-C2'-C1' 104.322 3.135 . 0.089 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.544 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C5'-C4'-C3' 111.638 -2.574 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.373 1 C5'-C4'-C3' 107.714 -5.19 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.915 0 C4'-C3'-C2' 99.974 -2.726 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.358 -3.342 . 0.743 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 C4'-C3'-C2' 99.907 -2.793 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.677 0 C4'-C3'-C2' 99.648 -3.052 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.555 -3.145 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C4'-C3'-C2' 99.932 -2.768 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 119.675 -0.202 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.65 109.18 11.81 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.3 145.34 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -143.81 134.97 25.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -93.62 143.69 26.07 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 173.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.621 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -146.41 129.38 16.4 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.004 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -78.62 146.38 34.15 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -56.41 123.8 8.41 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.55 -6.81 16.17 Favored Glycine 0 CA--C 1.529 0.953 0 CA-C-O 119.237 -0.757 . . . . 0.0 113.396 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -108.29 -174.69 2.58 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.844 1.322 . . . . 0.0 111.538 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 m -140.48 169.88 16.84 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -171.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -144.61 164.78 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.363 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -136.76 153.56 50.8 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 118.651 0.66 . . . . 0.0 111.689 -175.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -142.76 138.97 28.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 124.099 0.96 . . . . 0.0 108.73 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.89 -139.32 40.52 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.26 10.35 5.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.353 0.661 . . . . 0.0 110.176 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -138.0 7.91 2.72 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.327 0.651 . . . . 0.0 111.724 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.54 145.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.341 0.205 0 CA-C-N 118.977 0.808 . . . . 0.0 110.592 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.2 m -138.69 154.74 48.61 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -133.95 148.93 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -176.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -142.08 144.51 33.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.74 90.69 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.55 -30.78 71.57 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.056 -174.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.46 -167.58 33.54 Favored Glycine 0 C--N 1.338 0.65 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.25 167.22 17.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-O 121.226 0.536 . . . . 0.0 110.369 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 m -145.85 60.84 1.26 Allowed 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.988 1.315 . . . . 0.0 107.864 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.51 -114.42 3.83 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 107.538 -2.225 . . . . 0.0 107.538 -172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.461 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -94.67 -2.63 50.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -81.97 160.71 23.27 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -138.82 123.76 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 30.0 mtm180 -82.26 116.55 21.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 171.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -118.34 136.54 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 107.761 -1.199 . . . . 0.0 107.761 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.94 148.63 17.79 Favored Glycine 0 C--N 1.334 0.418 0 N-CA-C 108.471 -1.852 . . . . 0.0 108.471 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' C' ' 1' ' ' MET . 62.8 mt -134.55 145.16 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -136.4 103.67 5.35 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.59 155.88 56.63 Favored Pre-proline 0 N--CA 1.45 -0.456 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.779 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.81 152.07 57.89 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.529 2.152 . . . . 0.0 110.248 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.55 -4.39 5.93 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.052 -0.405 . . . . 0.0 110.47 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.07 -9.28 44.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.298 1.039 . . . . 0.0 111.332 172.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.87 160.65 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.585 0.754 . . . . 0.0 109.28 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.25 156.98 17.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 111.856 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.41 135.37 5.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.12 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -157.02 167.71 29.64 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 111.558 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -68.01 154.26 41.99 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 169.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.11 -23.85 67.26 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.562 0.619 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.04 -4.4 56.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.851 0.461 . . . . 0.0 111.742 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.24 -35.24 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 C-N-CA 123.902 0.881 . . . . 0.0 110.23 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -56.26 -37.05 69.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 117.89 0.314 . . . . 0.0 111.146 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -65.42 -20.68 66.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 O-C-N 122.483 -0.136 . . . . 0.0 110.732 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.417 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 60.7 ttm-85 -86.72 -36.19 18.82 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.551 0.34 . . . . 0.0 111.003 -177.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.6 -17.45 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -102.72 2.35 35.63 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.45 0.7 . . . . 0.0 111.452 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.09 -29.92 6.16 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.068 0.547 . . . . 0.0 111.924 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 144.62 153.53 5.89 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -162.36 171.62 16.92 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.506 -0.408 . . . . 0.0 111.397 -178.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.8 p -141.32 7.0 1.95 Allowed 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.66 0.784 . . . . 0.0 111.326 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -62.0 -34.39 15.7 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.069 -0.967 . . . . 0.0 113.324 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 55.9 Cg_exo -55.02 178.01 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.708 2.939 . . . . 0.0 113.523 172.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 CA--C 1.533 0.316 0 C-N-CA 123.626 0.771 . . . . 0.0 111.201 178.208 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.669 0 C4'-C3'-C2' 99.495 -3.205 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.359 -3.341 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.415 -3.285 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.259 -3.441 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 1 C4'-C3'-C2' 98.538 -4.162 . 0.604 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.556 0 O4'-C1'-N19 111.712 3.512 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 O4'-C1'-N19 111.884 3.684 OUTLIER-EPSILON 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.44 ' C4 ' H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 P-O3'-C3' 124.379 3.899 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.418 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.237 1 C5'-C4'-C3' 109.392 -4.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.352 0 O4'-C1'-N19 111.594 3.394 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 O4'-C1'-N19 110.459 2.259 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.856 0 P-O3'-C3' 122.155 2.046 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C3'-C2'-C1' 104.465 3.294 . 0.095 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 O4'-C1'-N19 110.495 2.295 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.519 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.338 0 C5'-C4'-C3' 111.463 -2.691 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 1 C5'-C4'-C3' 108.502 -4.666 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.77 -2.93 . 0.892 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.219 -3.481 . 0.758 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C4'-C3'-C2' 99.981 -2.719 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.79 -2.91 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.651 -3.049 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.794 0 C4'-C3'-C2' 100.081 -2.619 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 107.86 11.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 176.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.77 147.18 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -139.46 157.9 45.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 174.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -118.86 139.45 51.6 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.61 129.36 16.17 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.606 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.461 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 2.7 tptm -78.77 149.16 32.71 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.17 130.68 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.06 0.05 41.39 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-O 119.358 -0.69 . . . . 0.0 112.979 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -111.22 -176.38 2.94 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.323 1.062 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 45.3 m -140.64 169.76 17.05 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -172.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -143.39 165.33 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 126.142 1.777 . . . . 0.0 107.41 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -138.79 153.95 48.44 Favored 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.498 -0.751 . . . . 0.0 112.391 -176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.3 mt -142.9 143.31 25.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.976 0.91 . . . . 0.0 108.853 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.25 -140.56 42.31 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -129.62 10.12 5.58 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.603 0.761 . . . . 0.0 109.702 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.73 9.7 1.99 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.393 0.677 . . . . 0.0 112.101 -176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.39 146.93 32.91 Favored 'Isoleucine or valine' 0 C--N 1.341 0.2 0 CA-C-N 119.045 0.839 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.4 m -137.43 154.24 49.98 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -134.46 149.1 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -141.46 150.86 42.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.66 88.25 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.13 -30.83 71.9 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.208 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.55 -168.46 33.75 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 121.225 -0.512 . . . . 0.0 112.945 175.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.93 161.83 40.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.0 p -153.5 98.23 2.21 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.62 -125.34 11.47 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -99.02 1.52 45.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -79.64 160.63 26.28 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 109.63 -0.508 . . . . 0.0 109.63 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -140.86 117.27 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtm180 -77.66 111.55 13.56 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -109.34 145.4 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.62 150.71 16.94 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -137.1 145.37 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -136.88 104.16 5.39 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.09 155.01 58.66 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.98 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -69.96 151.05 67.78 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.759 2.306 . . . . 0.0 110.198 176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.12 -2.59 2.95 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.369 -0.207 . . . . 0.0 110.616 175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.93 -11.34 58.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.307 1.043 . . . . 0.0 110.913 172.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 160.51 30.63 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 123.709 0.803 . . . . 0.0 109.526 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.53 156.18 17.78 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 111.61 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.13 132.41 3.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.11 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -157.62 166.84 31.81 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 122.389 0.275 . . . . 0.0 111.029 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -68.11 160.69 28.47 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 169.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -66.68 -23.72 66.17 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.032 -0.417 . . . . 0.0 110.519 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -85.85 -5.56 59.22 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.224 0.609 . . . . 0.0 111.942 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.5 mm -114.22 -35.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.34 0.167 0 C-N-CA 123.586 0.755 . . . . 0.0 109.875 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -54.94 -39.27 68.69 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.93 0.332 . . . . 0.0 110.794 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -65.26 -20.72 66.55 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 111.296 0.11 . . . . 0.0 111.296 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.89 -32.65 21.54 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.685 0.394 . . . . 0.0 111.65 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.434 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.6 mp -64.46 -18.53 23.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -105.55 3.1 28.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.567 0.747 . . . . 0.0 112.245 -176.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.62 -9.45 13.75 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -172.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.09 -1.38 3.07 Favored Glycine 0 CA--C 1.529 0.932 0 CA-C-N 119.032 0.833 . . . . 0.0 113.038 178.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.2 mm? 63.06 164.4 0.11 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.062 1.345 . . . . 0.0 112.901 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -149.22 4.89 0.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.952 1.301 . . . . 0.0 109.569 178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 64.57 8.18 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 123.927 0.891 . . . . 0.0 110.36 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -53.71 -171.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 124.817 3.678 . . . . 0.0 115.178 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.322 -174.085 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.887 0 C4'-C3'-C2' 99.491 -3.209 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.187 -3.513 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.367 -3.333 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.528 0 C4'-C3'-C2' 99.687 -3.013 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 C4'-C3'-C2' 99.475 -3.225 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 1 C4'-C3'-C2' 98.663 -4.037 . 0.624 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 1 O4'-C1'-N19 112.489 4.289 OUTLIER-EPSILON 0.457 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.428 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.541 1 P-O3'-C3' 124.81 4.258 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.428 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C5'-C4'-C3' 109.84 -3.774 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.417 ' C5 ' ' HD2' ' A' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 O4'-C1'-N19 111.887 3.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C3'-C2'-C1' 103.921 2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 P-O3'-C3' 122.1 2.0 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C3'-C2'-C1' 104.111 2.901 . 0.05 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.844 0 O4'-C1'-N19 111.105 2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.547 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 111.803 -2.465 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 99.44 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.857 0 C4'-C3'-C2' 99.67 -3.03 . 0.882 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C4'-C3'-C2' 99.364 -3.336 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 100.014 -2.686 . 0.68 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.842 -2.858 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.487 -3.213 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.584 0 C4'-C3'-C2' 100.155 -2.545 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.3 tpp . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 119.829 -0.129 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.68 111.78 14.68 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -86.65 145.74 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.149 0.58 . . . . 0.0 109.692 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -143.13 134.74 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 p -90.2 146.45 24.26 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.574 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -149.52 131.15 14.92 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.977 -0.452 . . . . 0.0 110.65 178.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -80.29 147.7 31.04 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.8 m -56.61 127.29 15.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.24 -4.69 26.83 Favored Glycine 0 CA--C 1.531 1.09 0 CA-C-O 119.192 -0.782 . . . . 0.0 113.063 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -111.0 -174.73 2.54 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.665 1.233 . . . . 0.0 111.394 -178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.5 m -140.41 171.35 14.26 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -144.35 165.15 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.452 1.901 . . . . 0.0 107.253 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -136.82 153.76 50.71 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 118.907 0.776 . . . . 0.0 112.799 -176.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -142.79 142.42 26.42 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.201 1.0 . . . . 0.0 108.375 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.13 -140.8 34.89 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -130.08 11.38 5.51 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.13 0.572 . . . . 0.0 110.168 176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -137.31 8.38 2.9 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.599 0.759 . . . . 0.0 111.771 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.74 146.85 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 CA-C-N 119.28 0.946 . . . . 0.0 110.858 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -139.32 154.98 47.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.7 mm -134.23 149.27 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.8 m -142.18 151.11 41.88 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.35 91.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.11 -30.41 70.9 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.149 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.36 -171.1 34.6 Favored Glycine 0 C--N 1.339 0.717 0 C-N-CA 121.099 -0.572 . . . . 0.0 113.264 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -135.31 164.33 33.49 Favored 'Isoleucine or valine' 0 C--O 1.231 0.094 0 C-N-CA 122.626 0.371 . . . . 0.0 110.532 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.4 t -153.55 109.03 3.22 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.91 -98.01 0.33 Allowed Glycine 0 C--N 1.333 0.41 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -126.13 3.5 7.17 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 123.315 0.646 . . . . 0.0 110.474 174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 16.6 mt-30 -74.14 160.27 31.44 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 171.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.1 t -142.91 118.78 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -81.4 119.22 23.42 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 170.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -119.35 140.06 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 149.07 18.67 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' C' ' 1' ' ' MET . 63.0 mt -134.92 144.4 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -136.54 103.68 5.32 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.12 155.71 58.35 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.162 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.19 151.48 60.95 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.869 2.379 . . . . 0.0 110.037 177.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.39 -5.03 6.46 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.238 -0.289 . . . . 0.0 110.401 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -67.35 -8.59 33.78 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.4 1.08 . . . . 0.0 111.39 172.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m -138.67 161.42 30.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.484 0.713 . . . . 0.0 109.433 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.2 156.93 17.25 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 120.823 0.344 . . . . 0.0 111.5 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.13 132.0 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.056 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -157.16 165.25 36.52 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mtp-105 -64.86 154.29 37.69 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.1 -23.95 67.51 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 121.88 -0.512 . . . . 0.0 112.288 -175.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.5 -8.41 54.91 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.223 0.465 . . . . 0.0 111.717 177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -102.76 -35.48 3.93 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 123.376 0.67 . . . . 0.0 109.728 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.96 -43.15 73.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.856 0.298 . . . . 0.0 110.661 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -64.01 -20.41 65.89 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.051 0.14 . . . . 0.0 111.061 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -84.89 -36.23 21.65 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.226 -0.416 . . . . 0.0 111.194 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.57 -18.61 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -99.05 4.31 47.03 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.998 0.519 . . . . 0.0 111.165 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.94 -13.97 3.54 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -175.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.47 151.02 5.89 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.531 ' HA ' ' H42' ' D' ' 7' ' ' ' C' . 2.9 mm? -126.17 153.83 44.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 117.483 0.642 . . . . 0.0 111.569 -171.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.0 t -152.38 1.84 0.33 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.532 1.133 . . . . 0.0 109.71 175.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.23 68.16 9.29 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 124.408 1.083 . . . . 0.0 108.898 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.06 175.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 124.899 3.733 . . . . 0.0 114.881 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 CA--C 1.531 0.219 0 C-N-CA 124.38 1.072 . . . . 0.0 112.42 179.797 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.595 -3.105 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.511 -3.189 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.453 -3.247 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.453 0 C4'-C3'-C2' 99.589 -3.111 . 0.81 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 C4'-C3'-C2' 98.896 -3.804 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 98.758 -3.942 . 0.636 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.436 " H2'" " O4'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.254 0 O4'-C1'-N19 111.804 3.604 OUTLIER-EPSILON 0.364 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.436 " O4'" " H2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.233 1 P-O3'-C3' 125.569 4.891 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.893 0 C5'-C4'-O4' 113.706 3.219 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.257 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C5'-C4'-C3' 112.311 -2.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O5'-C5'-C4' 112.952 1.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 C3'-C2'-C1' 104.26 3.067 . 0.071 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 111.122 2.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.566 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 1 C5'-C4'-C3' 108.36 -4.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 99.655 -3.045 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.588 0 O4'-C1'-N19 111.411 3.211 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.717 0 C4'-C3'-C2' 99.979 -2.721 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.695 -3.005 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.566 -3.134 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.797 -2.903 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 46.8 tpp . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 119.999 -0.048 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 110.0 12.71 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 176.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.23 145.12 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt -143.38 135.07 26.47 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 173.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -96.8 147.08 24.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 175.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.11 161.81 41.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.49 174.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.402 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 2.5 tptm -103.26 152.6 21.32 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.4 m -56.21 131.12 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.487 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.99 -7.92 33.3 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.174 -0.792 . . . . 0.0 113.682 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -98.75 -179.1 4.19 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.813 1.307 . . . . 0.0 112.562 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m -139.84 166.07 25.62 Favored 'General case' 0 C--N 1.344 0.356 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.0 mt -144.11 165.4 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 126.298 1.839 . . . . 0.0 107.959 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.09 153.08 52.15 Favored 'General case' 0 N--CA 1.458 -0.051 0 CA-C-O 121.511 0.672 . . . . 0.0 112.383 -176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -142.22 143.23 26.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 124.625 1.17 . . . . 0.0 108.055 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.52 -140.49 36.96 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.147 -1.181 . . . . 0.0 110.147 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -130.25 10.67 5.36 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.455 0.702 . . . . 0.0 110.177 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -137.41 9.26 2.92 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.614 0.766 . . . . 0.0 112.032 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.56 146.72 33.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 119.089 0.859 . . . . 0.0 110.69 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -139.43 155.62 47.49 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.7 mm -133.75 149.22 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -140.29 152.1 45.61 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 tp -112.2 86.11 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.102 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.46 -28.54 69.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 -175.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.81 -168.82 32.92 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.723 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.8 163.54 34.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.073 0 C-N-CA 122.723 0.409 . . . . 0.0 110.033 176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.8 t -152.65 89.24 1.39 Allowed 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.29 -120.53 7.15 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -170.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.88 1.72 43.14 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 117.12 0.46 . . . . 0.0 109.84 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -79.4 160.5 26.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.334 0.588 . . . . 0.0 109.417 172.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.5 t -140.65 118.32 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.6 mtm180 -80.14 113.16 18.11 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 172.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.19 142.34 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.29 149.56 18.63 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 1' ' ' MET . 65.3 mt -134.73 144.94 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -136.41 103.34 5.24 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.72 155.22 59.91 Favored Pre-proline 0 N--CA 1.454 -0.269 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.114 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.74 152.04 58.27 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 122.716 2.277 . . . . 0.0 109.71 177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -65.92 -4.26 6.63 Favored 'General case' 0 CA--C 1.531 0.225 0 O-C-N 122.291 -0.255 . . . . 0.0 110.538 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.7 -9.05 40.14 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.338 1.055 . . . . 0.0 110.976 171.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m -138.93 160.63 29.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 123.693 0.797 . . . . 0.0 109.454 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.83 156.6 17.41 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.277 -176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.34 136.82 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -155.24 166.59 33.09 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.54 0.686 . . . . 0.0 111.597 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.4 ttp-105 -70.68 150.73 45.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -62.15 -23.88 66.84 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.51 -0.744 . . . . 0.0 112.323 -174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -86.18 -0.83 56.64 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.966 -0.459 . . . . 0.0 111.679 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 31.2 mm -117.5 -34.65 1.78 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.096 0 C-N-CA 124.447 1.099 . . . . 0.0 110.09 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -56.31 -38.82 71.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.041 0.382 . . . . 0.0 110.687 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.41 -20.98 66.61 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 122.469 -0.144 . . . . 0.0 110.979 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -84.29 -37.1 22.11 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 122.394 0.278 . . . . 0.0 111.351 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.7 mp -64.54 -16.8 20.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -102.19 4.15 39.11 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.429 0.691 . . . . 0.0 111.555 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.79 -31.0 4.04 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . 0.493 ' C ' HD13 ' C' ' 55' ' ' LEU . . . 149.05 149.51 4.99 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' C' ' 51' ' ' ILE . 0.0 OUTLIER -162.98 167.71 22.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.383 -0.481 . . . . 0.0 112.278 -174.486 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 53.4 p -148.14 16.77 1.07 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.387 1.075 . . . . 0.0 110.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.705 ' H ' ' HD3' ' C' ' 58' ' ' PRO . . . -136.36 1.13 0.04 OUTLIER Pre-proline 0 CA--C 1.544 0.719 0 N-CA-C 116.76 2.133 . . . . 0.0 116.76 -173.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.705 ' HD3' ' H ' ' C' ' 57' ' ' ALA . 74.0 Cg_exo -52.46 171.16 0.21 Allowed 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.228 1.952 . . . . 0.0 113.594 172.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.393 179.491 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C5'-C4'-C3' 111.503 -2.664 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 C4'-C3'-C2' 99.469 -3.231 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.789 0 C4'-C3'-C2' 99.549 -3.151 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.685 -3.015 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 98.865 -3.835 . 0.606 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 112.028 3.828 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C4'-C3'-C2' 99.477 -3.223 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.435 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 O4'-C1'-N19 111.115 2.915 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.435 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C5'-C4'-C3' 109.667 -3.889 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.531 ' H42' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.847 3.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C5'-C4'-C3' 111.842 -2.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 P-O3'-C3' 122.002 1.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C3'-C2'-C1' 104.182 2.98 . 0.063 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 O4'-C1'-N19 111.224 3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.556 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.431 0 C5'-C4'-C3' 111.901 -2.399 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 1 C5'-C4'-C3' 108.281 -4.812 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.05 0 C4'-C3'-C2' 99.755 -2.945 . 0.469 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.45 -3.25 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.933 -2.767 . 0.7 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.56 -3.14 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 99.917 -2.783 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 C4'-C3'-C2' 99.918 -2.782 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.779 -0.082 . . . . 0.0 110.779 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.65 110.11 11.93 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 176.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.91 147.75 4.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -140.76 161.09 38.6 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.13 139.54 53.2 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -146.64 135.6 22.43 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.303 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.1 tptm -81.86 149.39 28.32 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 175.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -55.97 138.55 16.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.846 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.63 -1.42 58.38 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.983 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -110.67 -177.12 3.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.394 1.097 . . . . 0.0 110.828 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 m -138.01 170.57 15.81 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -144.36 165.83 12.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 126.277 1.831 . . . . 0.0 107.106 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.18 153.6 50.4 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 119.014 0.825 . . . . 0.0 112.119 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.5 mt -144.69 140.22 23.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.691 0.797 . . . . 0.0 109.089 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.02 -140.15 39.43 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.36 10.93 5.34 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.306 0.642 . . . . 0.0 110.519 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -139.06 8.56 2.5 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.732 0.813 . . . . 0.0 111.976 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.75 146.23 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.249 0 CA-C-N 119.112 0.869 . . . . 0.0 110.497 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -140.32 156.86 46.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -134.03 149.12 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -176.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.9 m -142.28 127.33 18.45 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.64 93.91 2.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.03 -30.74 70.04 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.698 -174.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.88 -170.82 35.4 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.979 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.64 160.51 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 122.976 0.51 . . . . 0.0 109.767 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.2 m -148.02 82.61 1.5 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.67 -115.35 4.35 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 -171.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 1.8 mp0 -101.81 0.21 35.33 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.53 158.94 28.42 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.887 0.375 . . . . 0.0 110.084 172.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -141.5 122.41 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -83.64 121.64 27.53 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -121.96 127.78 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.72 150.65 17.58 Favored Glycine 0 C--N 1.333 0.393 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.7 mt -135.02 145.16 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -135.21 103.51 5.55 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.44 53.55 Favored Pre-proline 0 N--CA 1.451 -0.395 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.089 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.7 153.37 54.01 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.124 2.55 . . . . 0.0 110.289 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? -66.09 -2.62 4.32 Favored 'General case' 0 CA--C 1.529 0.147 0 O-C-N 122.08 -0.387 . . . . 0.0 110.633 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -68.84 -11.33 60.37 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.811 0.844 . . . . 0.0 110.627 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.0 m -138.31 161.27 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.8 0.84 . . . . 0.0 109.543 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.78 157.46 17.06 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 111.548 -175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.47 134.04 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.05 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -157.17 168.96 25.89 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 122.375 0.27 . . . . 0.0 111.427 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -70.3 161.13 30.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 170.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -66.44 -23.82 66.35 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.777 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.98 -7.41 59.16 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.828 0.451 . . . . 0.0 112.034 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -114.14 -33.25 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 123.648 0.779 . . . . 0.0 109.953 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -57.03 -36.92 71.02 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.207 -0.308 . . . . 0.0 110.821 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -65.08 -20.83 66.67 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.43 -0.169 . . . . 0.0 110.9 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -86.69 -36.78 18.52 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.51 0.324 . . . . 0.0 111.303 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.612 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.46 -18.48 23.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 176.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -100.84 2.36 40.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.211 0.604 . . . . 0.0 111.518 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.31 -31.52 5.59 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 122.918 0.487 . . . . 0.0 111.677 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 147.58 154.44 6.24 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 176.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -164.56 176.26 9.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 122.895 0.478 . . . . 0.0 110.982 -177.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.1 t -149.62 6.64 0.64 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.175 0.59 . . . . 0.0 110.975 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.477 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -66.34 -33.84 7.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 76.2 Cg_exo -53.07 171.25 0.25 Allowed 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 123.354 2.703 . . . . 0.0 114.374 175.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.547 0.739 . . . . 0.0 111.554 179.541 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.724 0 N19-C1'-C2' 109.032 -2.73 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.251 -3.449 . 0.848 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.484 0 C4'-C3'-C2' 99.562 -3.138 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.382 -3.318 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C4'-C3'-C2' 98.724 -3.976 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.646 0 C4'-C3'-C2' 98.881 -3.819 . 0.533 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.864 0 O4'-C1'-N19 111.998 3.798 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.431 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 O4'-C1'-N19 111.637 3.437 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.431 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.449 1 C5'-C4'-C3' 108.922 -4.385 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.414 ' C5 ' ' HD2' ' C' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.297 0 O4'-C1'-N19 111.779 3.579 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 P-O3'-C3' 122.379 2.233 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 P-O3'-C3' 121.964 1.887 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 C3'-C2'-C1' 104.089 2.877 . 0.098 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.87 0 O4'-C1'-N19 111.227 3.027 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.554 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.343 0 C5'-C4'-C3' 111.779 -2.481 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.563 1 C5'-C4'-C3' 108.261 -4.826 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C4'-C3'-C2' 99.631 -3.069 . 0.424 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.35 -3.35 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 C4'-C3'-C2' 99.827 -2.873 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.68 -3.02 . 0.757 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.488 0 C4'-C3'-C2' 99.458 -3.242 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.891 -2.809 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.9 tpp . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.805 -0.14 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.83 108.46 10.74 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 174.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.35 146.89 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.08 159.5 42.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -121.36 146.24 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 175.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 2.5 mmp_? -143.69 163.49 33.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 6.5 tptm -111.03 151.82 27.58 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 173.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.5 m -56.3 114.44 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 118.455 0.57 . . . . 0.0 110.159 -178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.08 6.08 10.24 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 119.736 -0.48 . . . . 0.0 112.666 -177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -116.13 -179.84 3.78 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.198 0.999 . . . . 0.0 111.149 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.1 m -141.94 167.86 21.12 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -142.85 165.24 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 126.555 1.942 . . . . 0.0 107.077 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -137.89 153.28 49.57 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.447 -0.783 . . . . 0.0 112.202 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.5 mt -142.2 142.22 27.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.26 -140.05 36.77 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -130.35 12.68 5.52 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.472 0.709 . . . . 0.0 110.208 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -137.61 8.4 2.83 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.706 0.802 . . . . 0.0 111.93 -178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.13 145.44 35.41 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 119.296 0.953 . . . . 0.0 110.839 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 27.0 m -138.74 155.51 48.16 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.213 1.005 . . . . 0.0 108.408 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -135.1 147.95 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 91.9 m -143.64 130.98 20.89 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -86.37 99.93 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.43 -30.91 62.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.2 -173.92 36.08 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.599 174.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.6 160.72 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-N 116.97 0.385 . . . . 0.0 110.639 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 65.8 m -149.28 104.67 3.41 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.45 -98.82 0.42 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 -172.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -123.3 -0.75 8.76 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.231 0.612 . . . . 0.0 110.558 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.414 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.0 mt-30 -73.88 155.14 39.05 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.37 120.0 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -78.8 121.03 24.27 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 169.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -123.47 128.51 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.71 149.38 17.68 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.2 mt -135.15 145.07 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -136.04 103.7 5.44 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.01 154.4 54.65 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.023 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.39 151.51 65.5 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.711 2.274 . . . . 0.0 110.226 177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -65.2 -1.3 2.16 Favored 'General case' 0 C--N 1.34 0.176 0 O-C-N 122.06 -0.4 . . . . 0.0 110.461 175.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.89 -10.66 59.3 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.202 1.001 . . . . 0.0 110.869 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.29 160.53 32.03 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.439 0.696 . . . . 0.0 109.602 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.71 156.24 17.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 120.903 0.382 . . . . 0.0 111.282 -176.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.53 134.27 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -158.0 173.84 16.14 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 120.688 0.28 . . . . 0.0 111.387 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -71.4 163.85 26.89 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -64.77 -31.01 72.05 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.217 -0.302 . . . . 0.0 110.761 -177.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.12 -50.56 61.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.232 0.539 . . . . 0.0 110.432 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.75 -33.5 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.664 -173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -57.19 -42.54 81.43 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.693 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.69 -20.94 66.48 Favored 'General case' 0 C--O 1.232 0.177 0 O-C-N 122.253 -0.28 . . . . 0.0 110.577 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . 0.414 ' HD2' ' C5 ' ' B' ' 7' ' ' ' C' . 41.3 ttm180 -83.07 -37.89 23.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 119.434 -0.317 . . . . 0.0 111.41 -177.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.12 -18.75 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -99.46 3.95 45.9 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.155 0.582 . . . . 0.0 111.468 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.95 -15.62 4.79 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -175.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . 0.419 ' C ' HD22 ' C' ' 55' ' ' LEU . . . 159.22 149.82 5.63 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 109.966 -1.253 . . . . 0.0 109.966 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.419 HD22 ' C ' ' C' ' 54' ' ' GLY . 2.8 mm? -128.75 152.25 48.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 117.602 0.701 . . . . 0.0 110.977 -172.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.7 p -144.46 -5.84 0.73 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.03 0.932 . . . . 0.0 110.287 176.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -156.53 62.62 2.96 Favored Pre-proline 0 CA--C 1.532 0.261 0 C-N-CA 124.239 1.016 . . . . 0.0 109.654 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.27 164.48 0.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 124.055 3.17 . . . . 0.0 114.536 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.455 -0.213 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.619 -179.416 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.762 0 C4'-C3'-C2' 98.911 -3.789 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.166 -3.534 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.421 -3.279 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.04 -3.66 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 0 C4'-C3'-C2' 99.224 -3.476 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 O4'-C1'-N19 110.99 2.79 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 1 C5'-C4'-C3' 108.415 -4.723 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.875 0 C4'-C3'-C2' 99.166 -3.534 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 O4'-C1'-N19 110.515 2.315 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.948 0 O5'-C5'-C4' 112.827 1.877 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 C3'-C2'-C1' 104.309 3.121 . 0.171 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 110.737 2.537 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.568 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.286 0 O4'-C1'-C2' 103.442 -2.113 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 1 C5'-C4'-C3' 107.923 -5.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.886 -2.814 . 0.104 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.685 0 C4'-C3'-C2' 99.273 -3.427 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 C4'-C3'-C2' 100.179 -2.521 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 C4'-C3'-C2' 99.57 -3.13 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.949 0 C4'-C3'-C2' 99.429 -3.271 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.709 0 C4'-C3'-C2' 100.233 -2.467 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 119.586 -0.245 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 108.26 10.17 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 173.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -84.43 145.14 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.31 0.644 . . . . 0.0 109.355 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.65 134.82 25.72 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 p -95.92 144.67 26.04 Favored 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -142.98 163.77 31.89 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 6.3 tptm -112.75 154.3 26.39 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -54.97 113.92 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 118.512 0.596 . . . . 0.0 110.604 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.23 -17.62 9.04 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 123.915 0.769 . . . . 0.0 112.608 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -81.25 -178.62 7.0 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.086 0.943 . . . . 0.0 111.638 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -142.99 168.54 19.46 Favored 'General case' 0 C--N 1.34 0.158 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.5 mt -143.94 165.95 13.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 126.067 1.747 . . . . 0.0 107.411 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -137.43 153.58 50.1 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.453 -0.78 . . . . 0.0 112.146 -177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -143.03 144.09 24.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -140.72 39.3 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.276 -1.13 . . . . 0.0 110.276 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -129.72 10.7 5.61 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.439 0.696 . . . . 0.0 109.657 177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -140.8 8.95 2.15 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.442 0.697 . . . . 0.0 111.749 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.5 145.95 34.78 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.033 0.833 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.9 m -137.34 155.21 49.68 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -134.27 148.93 29.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.4 m -141.69 150.16 41.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -113.17 93.42 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.62 -29.99 71.01 Favored 'General case' 0 C--O 1.23 0.069 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.191 -172.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.38 -169.16 34.32 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 118.432 0.56 . . . . 0.0 113.128 176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -134.46 163.12 37.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.062 0.458 . . . . 0.0 109.953 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 p -152.94 93.94 1.8 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.8 -122.16 8.17 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.84 2.01 43.51 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -78.78 160.12 27.56 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.056 0.455 . . . . 0.0 109.998 172.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -142.22 120.3 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -80.42 121.73 26.09 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -121.03 146.2 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.6 152.19 16.87 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -137.07 145.41 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -135.16 104.95 6.1 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.75 154.92 48.35 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.136 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.51 151.7 53.4 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.038 2.492 . . . . 0.0 110.334 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -63.57 -4.46 2.92 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 122.12 -0.362 . . . . 0.0 110.669 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.81 -11.93 57.07 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.229 1.011 . . . . 0.0 110.928 173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -138.16 160.24 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.613 0.765 . . . . 0.0 109.622 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.48 154.58 18.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 111.321 -175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -153.62 128.74 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.059 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -156.61 163.52 39.24 Favored 'General case' 0 C--N 1.339 0.125 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.26 159.79 23.0 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 170.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -66.0 -24.19 66.72 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 122.365 -0.209 . . . . 0.0 110.467 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -84.78 -5.96 59.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.815 0.446 . . . . 0.0 112.063 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.1 mm -113.87 -35.48 2.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.099 0 C-N-CA 123.658 0.783 . . . . 0.0 110.249 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.28 -37.64 67.56 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 118.064 0.393 . . . . 0.0 111.282 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -65.49 -21.15 66.6 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.405 -0.184 . . . . 0.0 111.163 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -87.53 -31.76 19.75 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.975 0.51 . . . . 0.0 111.625 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.442 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 2.3 mp -64.04 -18.51 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -104.81 4.84 32.63 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.99 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.43 -9.84 13.8 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -173.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.79 -2.94 3.1 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.225 0.92 . . . . 0.0 113.442 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 51' ' ' ILE . 2.2 mm? 61.16 167.79 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 125.006 1.322 . . . . 0.0 113.42 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.41 ' H ' ' H ' ' A' ' 57' ' ' ALA . 13.5 t -153.92 -3.57 0.18 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.022 1.329 . . . . 0.0 108.622 172.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' H ' ' H ' ' A' ' 56' ' ' THR . . . -153.68 122.5 3.14 Favored Pre-proline 0 N--CA 1.449 -0.489 0 C-N-CA 125.176 1.39 . . . . 0.0 108.194 177.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.23 176.09 0.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 124.574 3.516 . . . . 0.0 114.21 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 112.423 178.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 111.473 -2.684 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.236 -3.464 . 0.838 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.323 -3.377 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 0 C4'-C3'-C2' 99.378 -3.322 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.219 -3.481 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C4'-C3'-C2' 99.243 -3.457 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.464 ' N4 ' HE22 ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.74 -2.96 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.42 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.702 0 C3'-C2'-C1' 104.31 3.123 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.42 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.291 1 C5'-C4'-C3' 109.409 -4.061 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.408 ' C5 ' ' HD2' ' C' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.348 0 O4'-C1'-N19 112.061 3.861 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 C4'-C3'-C2' 100.603 -2.097 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.876 0 P-O3'-C3' 122.286 2.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C3'-C2'-C1' 104.211 3.013 . 0.168 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.952 0 O4'-C1'-N19 110.609 2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.557 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.36 0 C5'-C4'-C3' 111.381 -2.746 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.561 1 C5'-C4'-C3' 108.042 -4.972 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.521 -3.179 . 0.484 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 C4'-C3'-C2' 99.127 -3.573 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 100.102 -2.598 . 0.676 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 C4'-C3'-C2' 99.842 -2.858 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.784 0 C4'-C3'-C2' 99.488 -3.212 . 0.809 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.714 -2.986 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.9 108.36 10.07 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 173.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.26 144.58 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 123.123 0.569 . . . . 0.0 109.48 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -143.06 134.35 26.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 172.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -95.78 149.17 21.8 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 174.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.14 164.56 38.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.768 -0.196 . . . . 0.0 111.145 174.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -106.58 151.55 24.88 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -55.64 122.48 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.35 -2.68 20.47 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-O 119.327 -0.707 . . . . 0.0 113.148 179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -107.49 -179.97 4.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 118.672 1.236 . . . . 0.0 112.402 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -138.81 168.1 20.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 20.4 mt -144.06 165.26 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.581 1.952 . . . . 0.0 107.653 -177.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -133.01 153.3 51.61 Favored 'General case' 0 CA--C 1.523 -0.082 0 CA-C-O 121.288 0.566 . . . . 0.0 112.209 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.0 mt -143.49 143.04 24.83 Favored 'Isoleucine or valine' 0 C--O 1.231 0.111 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.14 -140.7 35.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.38 12.39 5.48 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.807 0.843 . . . . 0.0 110.026 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -138.82 8.23 2.54 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.525 0.73 . . . . 0.0 111.903 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.93 146.31 34.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 118.921 0.782 . . . . 0.0 110.667 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 45.6 m -139.97 155.73 46.98 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.197 0.999 . . . . 0.0 108.441 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mm -133.36 149.2 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.091 0.956 . . . . 0.0 108.434 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 29.6 m -142.02 151.95 42.93 Favored 'General case' 0 C--N 1.334 -0.093 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 tp -112.64 88.96 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -64.59 -29.54 70.55 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.573 -174.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.87 -167.75 34.31 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.732 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -132.17 164.7 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 C-N-CA 123.032 0.533 . . . . 0.0 109.953 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -146.54 78.68 1.51 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.19 -114.58 4.2 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 107.852 -2.099 . . . . 0.0 107.852 -171.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.406 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.8 mp0 -98.17 -1.32 42.43 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.464 HE22 ' N4 ' ' B' ' 4' ' ' ' C' . 42.2 mt-30 -75.29 160.42 30.36 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 121.045 0.45 . . . . 0.0 110.342 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 25.1 t -143.4 115.91 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -80.89 113.12 18.88 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.5 145.24 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.07 150.8 17.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 74.7 mt -135.82 145.56 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -135.69 105.23 6.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.69 155.59 52.55 Favored Pre-proline 0 N--CA 1.451 -0.405 0 C-N-CA 123.656 0.783 . . . . 0.0 109.532 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.14 152.74 62.39 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 122.858 2.372 . . . . 0.0 110.218 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.48 -3.01 3.78 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.319 0.248 . . . . 0.0 110.591 175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.09 -10.66 55.62 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.52 0.728 . . . . 0.0 111.092 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.87 160.44 30.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 C-N-CA 124.088 0.955 . . . . 0.0 109.858 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.88 156.01 17.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 111.611 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -152.93 132.7 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -157.06 169.13 25.5 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 122.674 0.389 . . . . 0.0 110.952 -176.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtm-85 -69.58 165.23 21.54 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 170.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -64.81 -24.05 67.43 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 117.703 0.229 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -74.09 -50.77 18.09 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-O 121.706 0.765 . . . . 0.0 110.228 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.6 mm -72.33 -32.93 44.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.926 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -55.88 -43.53 77.28 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.925 0.33 . . . . 0.0 110.684 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -66.88 -20.49 65.92 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 121.339 -0.144 . . . . 0.0 110.877 -178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . 0.408 ' HD2' ' C5 ' ' B' ' 7' ' ' ' C' . 41.4 ttm180 -81.37 -38.73 26.16 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.47 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.43 -18.85 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -98.73 3.68 47.65 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.182 0.593 . . . . 0.0 111.271 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.75 -13.79 5.23 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.39 152.11 6.01 Favored Glycine 0 C--N 1.335 0.502 0 N-CA-C 110.097 -1.201 . . . . 0.0 110.097 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.05 156.13 42.16 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.39 -0.477 . . . . 0.0 110.311 -172.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.5 p -142.66 1.18 1.31 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.862 0.865 . . . . 0.0 110.388 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.435 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -152.6 59.58 2.99 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.73 0.812 . . . . 0.0 110.508 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 77.7 Cg_exo -51.75 168.57 0.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.935 3.09 . . . . 0.0 113.913 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 CA--C 1.532 0.273 0 C-N-CA 123.493 0.717 . . . . 0.0 112.284 -178.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.55 0 C4'-C3'-C2' 99.838 -2.862 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.27 -3.43 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.406 -3.294 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.384 -3.316 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.835 -3.865 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 98.753 -3.947 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 C4'-C3'-C2' 99.282 -3.418 . 0.322 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.417 ' N3 ' " H3'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.386 0 O4'-C1'-N19 111.739 3.539 . 0.143 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 C4'-C3'-C2' 99.702 -2.998 . 0.208 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.41 ' C2 ' HD11 ' A' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 O4'-C1'-N19 111.741 3.541 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 O4'-C1'-N19 110.439 2.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 P-O3'-C3' 121.848 1.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C3'-C2'-C1' 104.479 3.309 . 0.275 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.506 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 111.711 -2.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 1 C5'-C4'-C3' 108.377 -4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C4'-C3'-C2' 99.877 -2.823 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.366 -3.334 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.844 -2.856 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.601 -3.099 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 99.696 -3.004 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 100.029 -2.671 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 tpp . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 119.52 -0.276 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.87 109.99 13.13 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.08 143.47 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.436 0.694 . . . . 0.0 109.3 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -142.62 134.86 27.52 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 173.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.1 p -93.45 146.42 23.77 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.449 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 2.8 mmp_? -145.46 137.54 25.57 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.303 0.641 . . . . 0.0 109.687 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 4.2 tptm -82.4 155.54 24.64 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 172.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -59.66 124.08 13.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 CA-C-N 118.671 0.668 . . . . 0.0 109.932 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.37 -16.44 22.04 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.578 0.609 . . . . 0.0 112.437 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -83.15 -178.11 6.99 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 117.71 0.755 . . . . 0.0 111.167 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -142.21 166.81 23.68 Favored 'General case' 0 C--N 1.339 0.143 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -174.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.95 165.42 15.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 126.505 1.922 . . . . 0.0 107.625 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.19 153.61 47.92 Favored 'General case' 0 CA--C 1.528 0.118 0 O-C-N 121.597 -0.69 . . . . 0.0 112.076 -177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.6 mt -143.27 144.95 23.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.991 0.916 . . . . 0.0 108.545 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.56 -140.35 37.36 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.166 -1.173 . . . . 0.0 110.166 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.07 10.76 5.45 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.362 0.665 . . . . 0.0 109.604 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -139.24 8.55 2.47 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.54 0.736 . . . . 0.0 111.752 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.43 145.56 35.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 118.935 0.788 . . . . 0.0 110.314 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -137.17 154.73 50.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.4 mm -136.47 149.07 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 -174.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.6 m -140.05 151.15 45.18 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.06 92.72 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -66.02 -31.73 72.8 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.178 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.55 -168.68 34.32 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.807 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -130.81 163.03 37.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.156 0 C-N-CA 123.088 0.555 . . . . 0.0 109.85 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -148.73 80.77 1.44 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.56 -116.09 4.58 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -171.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.41 -0.82 40.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -76.6 159.46 30.26 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 172.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -142.66 118.68 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 34.2 mtm180 -81.38 117.58 21.96 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 170.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 mt -116.39 142.61 29.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.82 150.85 17.01 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.8 mt -135.93 145.24 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -136.16 104.19 5.58 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.04 155.61 58.64 Favored Pre-proline 0 N--CA 1.451 -0.42 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.336 -178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.31 151.75 66.12 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.087 2.525 . . . . 0.0 110.419 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.53 -2.14 3.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 122.274 -0.266 . . . . 0.0 110.642 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.19 -10.87 57.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.849 0.86 . . . . 0.0 110.698 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.87 160.79 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 C-N-CA 123.934 0.893 . . . . 0.0 109.765 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.68 157.01 17.24 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 120.49 0.186 . . . . 0.0 111.308 -176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 134.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 175.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -158.25 162.08 37.8 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.934 0.494 . . . . 0.0 110.37 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -74.94 159.01 32.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 171.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.23 -24.23 66.2 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 46' ' ' GLU . 10.6 pt-20 -85.01 -4.26 59.09 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.938 -0.477 . . . . 0.0 112.027 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.99 -35.49 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.655 0.782 . . . . 0.0 109.64 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -55.98 -38.21 70.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 117.891 0.314 . . . . 0.0 111.148 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -65.22 -21.26 66.73 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.39 -0.193 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -83.6 -36.43 23.91 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.935 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp -64.34 -19.74 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -102.95 2.68 35.44 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.12 -0.363 . . . . 0.0 111.129 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.28 -18.96 58.72 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 119.413 -0.327 . . . . 0.0 111.731 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 142.57 37.08 0.08 OUTLIER Glycine 0 C--N 1.34 0.803 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.471 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.458 HD13 ' H ' ' A' ' 57' ' ' ALA . 3.5 pp -160.05 -173.88 4.28 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 118.186 0.993 . . . . 0.0 113.449 -169.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.2 p -139.77 40.75 2.0 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.347 1.459 . . . . 0.0 109.953 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.458 ' H ' HD13 ' A' ' 55' ' ' LEU . . . 61.21 82.6 0.22 Allowed Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 111.517 -174.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.75 167.79 0.18 Allowed 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 124.888 3.725 . . . . 0.0 114.351 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t70 . . . . . 0 C--O 1.232 0.182 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.089 -178.38 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C4'-C3'-C2' 99.421 -3.279 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 0 C4'-C3'-C2' 99.572 -3.128 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.6 -3.1 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 99.689 -3.011 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C4'-C3'-C2' 98.988 -3.712 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.196 -3.504 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.187 -3.513 . 0.42 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.4 ' N3 ' " H3'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 111.981 3.781 . 0.132 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.466 -3.234 . 0.177 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.402 ' C2 ' HD11 ' C' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C5'-C4'-C3' 110.107 -3.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C3'-C2'-C1' 103.649 2.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 P-O3'-C3' 121.819 1.766 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 C3'-C2'-C1' 104.086 2.874 . 0.119 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 O4'-C1'-N19 111.23 3.03 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.559 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.347 0 C5'-C4'-C3' 111.936 -2.376 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 1 C5'-C4'-C3' 108.004 -4.997 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 C4'-C3'-C2' 99.767 -2.933 . 0.168 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.344 -3.356 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.962 -2.738 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.884 -2.816 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 0 C4'-C3'-C2' 99.623 -3.077 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 C4'-C3'-C2' 99.865 -2.835 . 0.765 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 119.658 -0.21 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.66 109.31 11.94 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 173.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.74 145.12 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt -143.35 134.88 26.29 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.0 p -94.72 148.09 22.64 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -145.54 164.32 32.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -111.55 152.67 27.28 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.4 114.92 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 118.531 0.605 . . . . 0.0 110.006 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.88 6.27 11.34 Favored Glycine 0 CA--C 1.528 0.88 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.684 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -114.71 -176.4 2.89 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.119 0.96 . . . . 0.0 111.117 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 40.3 m -145.83 167.79 22.36 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -170.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.2 mt -143.87 163.09 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.768 1.627 . . . . 0.0 107.363 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -134.67 153.39 52.01 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.376 0.67 . . . . 0.0 111.801 -176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 53.8 mt -142.77 138.77 28.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.07 -139.61 40.59 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.1 10.88 5.45 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.242 0.617 . . . . 0.0 110.617 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -137.13 7.89 2.92 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.374 0.67 . . . . 0.0 112.038 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.81 144.38 37.49 Favored 'Isoleucine or valine' 0 C--N 1.341 0.219 0 CA-C-N 119.077 0.853 . . . . 0.0 110.721 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.5 m -139.81 156.46 46.73 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -135.03 149.09 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 26.5 m -142.04 128.08 19.61 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.74 92.67 2.95 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -66.75 -32.87 74.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.997 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -167.48 34.07 Favored Glycine 0 C--N 1.338 0.68 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.608 175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -132.4 162.61 39.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -148.68 83.68 1.47 Allowed 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.9 -116.17 4.53 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 -172.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 1.9 mp0 -101.61 0.99 37.28 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -79.31 160.58 26.72 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.28 120.06 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -81.43 119.03 23.19 Favored 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.4 mt -118.78 129.01 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.15 150.11 17.67 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.07 144.86 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -136.2 104.03 5.51 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.6 155.17 56.82 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.855 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -69.93 150.72 67.56 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.871 2.381 . . . . 0.0 109.867 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -66.67 -1.12 3.4 Favored 'General case' 0 CA--C 1.528 0.133 0 O-C-N 122.316 -0.24 . . . . 0.0 110.414 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.57 -11.73 60.36 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.423 1.089 . . . . 0.0 110.909 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.34 160.69 31.82 Favored 'Isoleucine or valine' 0 C--N 1.338 0.107 0 C-N-CA 123.86 0.864 . . . . 0.0 109.698 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.94 157.11 16.98 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.01 135.05 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -156.97 169.78 24.02 Favored 'General case' 0 CA--C 1.523 -0.072 0 CA-C-O 120.911 0.386 . . . . 0.0 111.458 -175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -71.47 160.26 33.04 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -68.41 -23.47 64.64 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -83.58 -6.34 59.42 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.66 0.384 . . . . 0.0 111.668 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -114.06 -36.05 2.3 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 C-N-CA 123.717 0.807 . . . . 0.0 110.617 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -56.16 -37.62 69.78 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 122.479 -0.138 . . . . 0.0 111.109 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -65.39 -20.61 66.45 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 122.229 0.211 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -85.76 -35.86 20.49 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 119.151 -0.452 . . . . 0.0 111.192 -177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.421 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.7 mp -65.38 -20.67 27.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -99.9 2.2 43.51 Favored 'General case' 0 C--O 1.23 0.051 0 O-C-N 122.227 -0.296 . . . . 0.0 111.07 -177.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.96 -13.2 60.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.566 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.69 34.0 0.2 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-O 119.452 -0.638 . . . . 0.0 113.634 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.482 ' C ' HD12 ' C' ' 55' ' ' LEU . 3.5 pp -164.52 -165.66 0.98 Allowed 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.384 1.092 . . . . 0.0 113.658 -168.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 11.2 t -140.91 173.59 11.34 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.671 1.588 . . . . 0.0 107.716 171.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' C' ' 58' ' ' PRO . . . -49.39 127.4 17.04 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 118.496 0.589 . . . . 0.0 111.284 -175.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' C' ' 57' ' ' ALA . 71.4 Cg_exo -51.4 171.94 0.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 125.004 3.802 . . . . 0.0 114.59 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t0 . . . . . 0 CA--C 1.534 0.343 0 C-N-CA 123.763 0.825 . . . . 0.0 111.403 178.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C4'-C3'-C2' 99.752 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.306 -3.394 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 99.539 -3.161 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C4'-C3'-C2' 99.644 -3.056 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 C4'-C3'-C2' 98.915 -3.785 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.056 -3.644 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 O4'-C1'-N19 111.863 3.663 OUTLIER-EPSILON 0.348 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.757 2 O4'-C1'-N19 112.338 4.138 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.636 0 C4'-C3'-C2' 99.134 -3.566 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 1 C5'-C4'-C3' 109.42 -4.053 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.72 2.52 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.921 0 P-O3'-C3' 121.825 1.771 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C3'-C2'-C1' 104.062 2.847 . 0.235 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 110.771 2.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.533 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C5'-C4'-C3' 112.097 -2.268 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 C5'-C4'-C3' 108.331 -4.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.805 0 C4'-C3'-C2' 99.78 -2.92 . 0.89 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.892 0 C4'-C3'-C2' 99.231 -3.469 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 C4'-C3'-C2' 100.005 -2.695 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.615 0 C4'-C3'-C2' 99.96 -2.74 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.755 0 C4'-C3'-C2' 99.543 -3.157 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 110.783 2.583 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 110.73 -0.1 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.62 110.79 12.55 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.73 145.74 7.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.338 0.655 . . . . 0.0 109.536 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.9 mt -141.4 158.99 43.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.2 p -121.04 143.61 48.97 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.411 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.0 mmp_? -145.65 135.02 23.05 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.262 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.9 153.84 30.18 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 171.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.7 129.73 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 119.245 -0.982 . . . . 0.0 110.245 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.21 -16.75 29.69 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.578 0.608 . . . . 0.0 112.46 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -84.59 -179.77 7.21 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.036 0.918 . . . . 0.0 111.334 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -140.66 167.41 22.24 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.9 mm -142.54 165.49 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.314 1.846 . . . . 0.0 107.597 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -138.98 153.33 48.16 Favored 'General case' 0 C--N 1.339 0.143 0 O-C-N 121.627 -0.67 . . . . 0.0 112.286 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.8 mt -143.5 145.37 22.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.31 -140.29 42.92 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -130.23 10.76 5.38 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.642 0.777 . . . . 0.0 109.459 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -142.53 9.64 1.81 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.214 0.606 . . . . 0.0 111.864 -175.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.07 145.72 35.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.383 0 CA-C-N 118.904 0.775 . . . . 0.0 110.75 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -138.51 154.82 48.8 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.478 1.111 . . . . 0.0 108.259 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -135.68 148.23 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.6 m -143.03 124.38 14.67 Favored 'General case' 0 C--O 1.231 0.089 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -77.7 96.24 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.87 -30.98 68.57 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.982 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.61 -174.01 35.67 Favored Glycine 0 C--N 1.34 0.769 0 C-N-CA 121.052 -0.594 . . . . 0.0 113.074 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -135.39 160.71 40.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.758 0.279 . . . . 0.0 110.918 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.9 m -150.13 105.97 3.43 Favored 'General case' 0 CA--C 1.522 -0.104 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -97.07 0.33 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 7.5 mm-40 -126.51 -0.54 6.87 Favored 'General case' 0 CA--C 1.524 -0.057 0 C-N-CA 123.414 0.685 . . . . 0.0 110.163 174.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 25.6 mt-30 -74.29 153.94 39.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 173.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -141.51 117.44 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -76.75 120.2 21.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 170.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -122.05 120.14 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.97 148.79 19.19 Favored Glycine 0 C--N 1.331 0.298 0 N-CA-C 108.654 -1.778 . . . . 0.0 108.654 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.33 144.16 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.23 103.46 5.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.63 155.38 56.64 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.062 -178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -72.14 151.91 55.78 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.031 2.487 . . . . 0.0 110.079 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.19 -3.6 2.91 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.363 0.265 . . . . 0.0 110.493 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.04 -11.2 58.54 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.096 0.958 . . . . 0.0 110.905 173.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.45 160.8 31.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.578 0.751 . . . . 0.0 109.55 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.4 157.32 16.71 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.649 0.261 . . . . 0.0 111.475 -175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.34 133.93 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -157.59 168.47 27.17 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.626 0.37 . . . . 0.0 111.531 -175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -70.87 159.37 34.75 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -64.99 -23.68 67.29 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.616 -0.677 . . . . 0.0 111.001 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -87.11 0.08 55.83 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.853 0.461 . . . . 0.0 112.018 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.8 mm -119.03 -33.85 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 C-N-CA 123.622 0.769 . . . . 0.0 109.801 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -56.43 -40.62 75.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.157 -0.339 . . . . 0.0 110.726 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -63.23 -20.65 65.63 Favored 'General case' 0 N--CA 1.451 -0.378 0 O-C-N 122.302 -0.249 . . . . 0.0 111.241 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -86.82 -35.46 19.08 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.312 -0.375 . . . . 0.0 111.465 -177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.9 -18.57 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 CA-C-N 118.634 0.652 . . . . 0.0 109.489 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -98.92 3.98 47.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.304 0.642 . . . . 0.0 111.319 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.48 -12.1 5.6 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.07 152.02 5.68 Favored Glycine 0 C--N 1.337 0.586 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.31 156.55 38.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.243 0.521 . . . . 0.0 110.272 -172.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.3 p -142.05 -0.28 1.32 Allowed 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.751 0.82 . . . . 0.0 110.384 178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -153.23 59.14 2.62 Favored Pre-proline 0 N--CA 1.451 -0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 110.493 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 64.4 Cg_exo -52.94 172.14 0.2 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.487 2.791 . . . . 0.0 113.587 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.532 0.273 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.884 179.785 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.508 0 C4'-C3'-C2' 99.903 -2.797 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.556 -3.144 . 0.835 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 C4'-C3'-C2' 99.542 -3.158 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 O4'-C1'-N19 111.478 3.278 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.901 0 C4'-C3'-C2' 99.009 -3.691 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.518 0 O4'-C1'-N19 111.764 3.564 . 0.59 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-N19 111.167 2.967 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.491 ' C4 ' H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C5'-C4'-C3' 110.357 -3.429 OUTLIER-DELTA 0.074 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.442 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.319 1 C5'-C4'-C3' 109.432 -4.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.455 0 O4'-C1'-N19 111.96 3.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 O4'-C1'-N19 110.484 2.284 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O5'-C5'-C4' 112.803 1.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C3'-C2'-C1' 104.251 3.057 . 0.135 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 0 O4'-C1'-N19 110.96 2.76 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.57 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.278 0 C5'-C4'-C3' 112.385 -2.076 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 C5'-C4'-C3' 108.118 -4.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 100.103 -2.597 . 0.186 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.442 -3.258 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 0 C4'-C3'-C2' 100.122 -2.578 . 0.737 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 C4'-C3'-C2' 99.595 -3.105 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.701 0 C4'-C3'-C2' 99.627 -3.073 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 C4'-C3'-C2' 99.911 -2.789 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 43.2 tpp . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 110.578 -0.156 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.57 106.47 10.16 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -83.47 147.16 6.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -141.11 157.66 44.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.7 p -118.49 145.13 45.53 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -149.96 137.94 20.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.406 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.418 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.8 tptm -82.64 149.42 27.4 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.3 m -56.23 139.48 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 C-N-CA 119.845 -0.742 . . . . 0.0 109.686 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 0.48 60.13 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -114.47 -176.52 2.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.401 1.101 . . . . 0.0 110.47 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 31.4 m -139.65 169.33 17.92 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -169.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.3 mt -144.4 165.41 13.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 126.441 1.897 . . . . 0.0 107.483 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.27 153.78 50.26 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.492 0.587 . . . . 0.0 112.448 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.7 mt -143.09 145.66 22.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.226 1.01 . . . . 0.0 108.519 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.71 -142.06 38.19 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.04 10.53 5.9 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.7 0.8 . . . . 0.0 109.6 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -141.39 8.97 2.03 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.79 0.836 . . . . 0.0 111.854 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.59 146.92 33.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-N 119.155 0.889 . . . . 0.0 111.067 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -138.08 155.1 49.12 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.303 1.041 . . . . 0.0 108.352 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -134.54 146.67 30.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.6 m -140.85 122.42 15.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.58 90.01 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -65.5 -30.84 71.66 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.436 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.24 -172.46 35.93 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.539 -0.839 . . . . 0.0 113.337 175.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.91 160.65 38.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.3 m -150.12 105.6 3.39 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.42 -96.63 0.35 Allowed Glycine 0 C--N 1.335 0.494 0 N-CA-C 109.077 -1.609 . . . . 0.0 109.077 -173.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -126.06 0.29 7.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.238 0.615 . . . . 0.0 110.641 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.74 160.09 32.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.25 119.68 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 175.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -80.86 119.38 23.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 171.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -119.41 120.07 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.39 149.51 19.36 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.33 144.83 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -135.27 104.24 5.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.19 154.4 53.98 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.022 -178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.93 151.83 62.74 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.293 2.662 . . . . 0.0 110.321 176.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.31 -2.71 3.3 Favored 'General case' 0 CA--C 1.528 0.122 0 O-C-N 122.21 -0.306 . . . . 0.0 110.636 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.42 -11.72 58.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.316 1.047 . . . . 0.0 110.684 173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.17 160.79 32.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 123.766 0.826 . . . . 0.0 109.862 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.18 16.95 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 111.325 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.0 134.59 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 173.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -157.21 171.1 21.04 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 122.28 0.232 . . . . 0.0 111.175 -175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -72.53 158.72 35.16 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 170.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.67 -23.32 67.22 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.037 0.381 . . . . 0.0 110.63 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.63 -3.73 58.65 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.24 0.616 . . . . 0.0 112.399 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -117.79 -34.59 1.75 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 123.907 0.883 . . . . 0.0 110.031 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.23 -37.84 70.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 122.014 -0.429 . . . . 0.0 110.885 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -64.97 -21.39 66.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 122.451 -0.155 . . . . 0.0 110.973 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -85.38 -32.22 22.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 122.436 0.294 . . . . 0.0 111.453 -176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.426 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp -64.88 -18.52 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 174.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -105.37 2.79 29.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.575 0.75 . . . . 0.0 112.396 -176.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.55 -11.36 13.6 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.73 -0.74 2.48 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 119.055 0.843 . . . . 0.0 113.237 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.0 mm? 63.12 163.57 0.11 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.337 1.455 . . . . 0.0 112.866 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 74.2 p -148.34 6.06 0.74 Allowed 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 124.9 1.28 . . . . 0.0 109.884 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.422 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -147.56 62.42 7.01 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.178 0.991 . . . . 0.0 110.391 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 70.3 Cg_exo -53.71 -171.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 124.655 3.57 . . . . 0.0 115.457 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.593 -175.147 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C5'-C4'-C3' 111.409 -2.727 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.4 -3.3 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.596 0 C4'-C3'-C2' 99.5 -3.2 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.76 -2.94 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 98.943 -3.757 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 99.039 -3.661 . 0.618 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.706 0 O4'-C1'-N19 111.935 3.735 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.47 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.653 0 O4'-C1'-N19 111.874 3.674 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.47 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.659 1 C5'-C4'-C3' 108.112 -4.925 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 O4'-C1'-N19 111.751 3.551 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 C5'-C4'-C3' 111.271 -2.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.044 0 O5'-C5'-C4' 113.024 2.017 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 0 C3'-C2'-C1' 104.306 3.117 . 0.133 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 O4'-C1'-N19 111.479 3.279 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.528 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.366 0 C5'-C4'-C3' 111.866 -2.423 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.443 1 C5'-C4'-C3' 108.655 -4.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.971 0 C4'-C3'-C2' 99.653 -3.047 . 0.271 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.255 -3.445 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.974 -2.726 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C4'-C3'-C2' 99.614 -3.086 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C4'-C3'-C2' 99.668 -3.032 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.697 0 C4'-C3'-C2' 99.915 -2.785 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 49.3 tpp . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.742 -0.096 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.18 112.0 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 174.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -87.31 143.85 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -141.82 134.41 28.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -90.3 148.29 22.97 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -150.71 138.6 19.96 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.265 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.4 tptm -86.55 150.26 24.37 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.7 m -57.55 134.15 22.13 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.531 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 1.96 55.02 Favored Glycine 0 CA--C 1.531 1.074 0 CA-C-O 119.371 -0.683 . . . . 0.0 112.953 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -114.81 -176.14 2.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.356 1.078 . . . . 0.0 110.856 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.1 m -139.61 169.52 17.59 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -144.75 165.62 12.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 126.149 1.779 . . . . 0.0 107.413 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -138.04 153.9 49.32 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.797 0.726 . . . . 0.0 112.539 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 57.4 mt -142.34 143.32 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.88 -141.71 32.2 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -130.18 13.14 5.64 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.441 0.696 . . . . 0.0 109.981 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -138.27 6.65 2.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.625 0.77 . . . . 0.0 111.86 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.87 146.32 34.31 Favored 'Isoleucine or valine' 0 C--N 1.341 0.226 0 CA-C-N 118.82 0.736 . . . . 0.0 110.417 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.9 m -138.55 154.99 48.76 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -134.99 148.99 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.8 m -140.11 150.04 43.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.23 90.31 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 mt -65.57 -34.29 77.91 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.337 -173.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.21 -173.57 37.66 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.831 -0.7 . . . . 0.0 113.088 173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.46 161.55 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 C-N-CA 122.773 0.429 . . . . 0.0 110.693 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -150.55 106.99 3.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.36 -102.91 0.79 Allowed Glycine 0 C--N 1.334 0.427 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -171.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.464 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 4.8 mm-40 -120.34 0.43 10.58 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 123.078 0.551 . . . . 0.0 110.511 174.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 26.7 mt-30 -73.83 154.49 39.47 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.4 t -142.49 119.56 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' NE ' ' H62' ' D' ' 12' ' ' ' A' . 47.9 mtt85 -80.95 120.63 25.0 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 106.654 -1.609 . . . . 0.0 106.654 169.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.9 mt -120.37 140.68 43.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.99 150.17 18.01 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.5 mt -137.17 145.23 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -136.27 104.57 5.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.07 155.68 55.0 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 123.767 0.827 . . . . 0.0 109.599 -177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -70.45 151.22 65.02 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 123.063 2.508 . . . . 0.0 110.317 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.84 -1.86 2.22 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 110.675 -0.12 . . . . 0.0 110.675 175.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.83 -10.88 59.33 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.006 0.923 . . . . 0.0 110.911 173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -138.44 160.4 31.51 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 C-N-CA 123.632 0.773 . . . . 0.0 109.513 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.62 156.76 16.9 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.856 0.36 . . . . 0.0 111.114 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -153.79 134.39 4.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -157.42 164.89 37.01 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 tpt85 -66.69 152.11 46.06 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.95 -23.55 65.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.333 0.515 . . . . 0.0 112.244 -177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.5 -11.55 55.92 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.421 0.555 . . . . 0.0 111.849 178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.6 mm -104.19 -35.14 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.814 0.845 . . . . 0.0 109.848 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -57.16 -40.78 77.96 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.555 -0.716 . . . . 0.0 110.861 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -63.72 -20.55 65.82 Favored 'General case' 0 N--CA 1.455 -0.198 0 O-C-N 122.335 -0.228 . . . . 0.0 110.963 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 39.9 ttm180 -84.0 -37.92 21.57 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 119.156 -0.45 . . . . 0.0 111.322 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -61.91 -18.74 20.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 118.646 0.657 . . . . 0.0 109.288 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -100.72 5.5 43.69 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.531 0.732 . . . . 0.0 111.061 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.38 -14.97 3.7 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -176.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' C ' HD22 ' A' ' 55' ' ' LEU . . . 157.21 150.68 5.77 Favored Glycine 0 C--N 1.338 0.669 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HA ' ' H42' ' D' ' 7' ' ' ' C' . 2.9 mm? -125.98 147.6 49.48 Favored 'General case' 0 C--N 1.334 -0.069 0 CA-C-N 117.549 0.674 . . . . 0.0 111.547 -170.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.5 p -144.97 1.36 0.98 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.865 1.266 . . . . 0.0 109.905 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.412 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -150.96 58.3 2.83 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 124.152 0.981 . . . . 0.0 110.415 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 82.6 Cg_exo -47.02 -32.43 13.03 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 124.088 3.192 . . . . 0.0 114.401 -177.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 N--CA 1.454 -0.25 0 C-N-CA 122.722 0.409 . . . . 0.0 110.929 -177.569 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C5'-C4'-C3' 111.335 -2.777 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 99.352 -3.348 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C4'-C3'-C2' 99.596 -3.104 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C4'-C3'-C2' 99.544 -3.156 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 98.93 -3.77 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 O4'-C1'-N19 111.775 3.575 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.659 0 C4'-C3'-C2' 98.818 -3.882 . 0.394 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.432 " H3'" ' N3 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 111.935 3.735 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 98.85 -3.85 . 0.127 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 P-O3'-C3' 122.351 2.209 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 P-O3'-C3' 122.421 2.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C3'-C2'-C1' 104.301 3.112 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 110.628 2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.558 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 C5'-C4'-C3' 111.687 -2.542 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 1 C5'-C4'-C3' 108.296 -4.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 C4'-C3'-C2' 99.861 -2.839 . 0.311 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.858 0 C4'-C3'-C2' 99.218 -3.482 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.953 -2.747 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 99.727 -2.973 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 C4'-C3'-C2' 99.745 -2.955 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C4'-C3'-C2' 99.854 -2.846 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.411 ' HG2' " H5'" ' D' ' 11' ' ' ' U' . 48.6 tpp . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 110.681 -0.118 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.18 109.64 11.69 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 144.41 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.2 mt -142.74 135.08 27.57 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 173.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.7 p -92.47 149.77 21.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.462 HH21 ' HB ' ' C' ' 22' ' ' ILE . 21.5 ttp180 -148.68 164.18 35.11 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.48 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.9 tptm -121.63 149.07 43.72 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.4 m -53.33 129.48 14.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.927 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.07 2.45 36.15 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 119.207 -0.774 . . . . 0.0 112.992 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -116.89 -171.32 2.0 Allowed 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.78 1.29 . . . . 0.0 112.444 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -148.85 171.2 16.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -168.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.453 HG13 ' HD3' ' C' ' 6' ' ' ARG . 41.5 mt -145.0 165.05 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.053 2.141 . . . . 0.0 107.08 -178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -130.58 153.55 48.77 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.691 -0.63 . . . . 0.0 111.512 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.9 mt -144.01 140.65 25.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -138.04 43.63 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -130.94 10.58 5.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.48 0.712 . . . . 0.0 109.515 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.55 8.5 2.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.336 0.654 . . . . 0.0 112.141 -175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -132.62 144.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 CA-C-N 118.784 0.72 . . . . 0.0 110.087 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -140.11 153.9 46.85 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.4 mm -132.46 149.41 32.21 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -140.56 153.86 46.28 Favored 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 122.687 0.395 . . . . 0.0 110.064 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.462 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -111.69 92.22 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.06 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -30.11 70.16 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.099 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.19 -170.73 35.0 Favored Glycine 0 C--N 1.339 0.737 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.664 174.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.08 162.43 39.22 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.066 0 CA-C-O 121.054 0.454 . . . . 0.0 110.177 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 54.5 m -147.31 80.77 1.52 Allowed 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.58 -117.43 5.2 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 107.951 -2.06 . . . . 0.0 107.951 -171.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.02 -1.89 38.63 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 117.043 0.422 . . . . 0.0 110.017 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.1 mt-30 -80.43 155.82 26.92 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.7 t -142.93 118.66 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 40.2 mtm180 -78.42 117.79 19.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 171.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -117.1 138.76 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.41 149.86 18.56 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 1' ' ' MET . 72.7 mt -135.85 144.94 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -135.57 102.45 5.12 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.39 153.74 52.32 Favored Pre-proline 0 N--CA 1.451 -0.407 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.369 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -70.42 152.15 65.72 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.899 2.399 . . . . 0.0 110.14 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.4 -2.7 3.42 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.568 0.223 . . . . 0.0 110.714 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -67.61 -11.72 58.8 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.949 0.9 . . . . 0.0 110.892 173.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.05 160.28 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 123.611 0.764 . . . . 0.0 109.327 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.73 156.74 17.16 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.32 131.68 2.74 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.06 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -157.26 164.74 37.36 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 122.792 0.437 . . . . 0.0 110.691 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -72.8 165.39 24.95 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.01 -33.41 70.69 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -64.12 -53.52 48.21 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 121.701 -0.624 . . . . 0.0 111.003 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -72.22 -31.63 39.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.811 -172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -55.31 -40.74 71.47 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.014 0.37 . . . . 0.0 111.143 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.54 -20.82 66.49 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.285 -0.259 . . . . 0.0 111.28 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -85.82 -33.23 21.4 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 122.327 0.251 . . . . 0.0 111.655 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.4 HD12 ' N ' ' C' ' 51' ' ' ILE . 2.6 mp -65.21 -18.39 23.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 175.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -105.16 3.98 30.82 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.509 0.724 . . . . 0.0 111.933 -176.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.12 -10.52 13.88 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.82 -1.19 2.83 Favored Glycine 0 CA--C 1.527 0.842 0 CA-C-N 119.16 0.891 . . . . 0.0 113.176 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.38 161.9 0.1 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.381 1.473 . . . . 0.0 112.685 -178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 75.5 p -148.86 2.86 0.61 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.494 1.117 . . . . 0.0 110.028 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.466 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -148.12 51.18 0.99 Allowed Pre-proline 0 CA--C 1.536 0.424 0 C-N-CA 123.562 0.745 . . . . 0.0 111.589 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.466 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 89.1 Cg_exo -47.15 -35.45 19.67 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 123.404 2.736 . . . . 0.0 114.546 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 CA--C 1.53 0.207 0 C-N-CA 122.576 0.35 . . . . 0.0 111.155 -175.42 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.764 0 N19-C1'-C2' 109.021 -2.737 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.224 0 C4'-C3'-C2' 99.597 -3.103 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.672 -3.028 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.718 0 C4'-C3'-C2' 99.379 -3.321 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.641 0 C4'-C3'-C2' 98.885 -3.815 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . 0.402 ' C5 ' ' OE1' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.423 -2.477 0 C4'-C3'-C2' 98.877 -3.823 . 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.085 -3.615 . 0.321 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.43 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 C3'-C2'-C1' 104.188 2.987 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.43 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.54 1 C5'-C4'-C3' 107.355 -5.43 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.471 ' H42' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.322 1 C5'-C4'-C3' 109.422 -4.052 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.818 0 O4'-C1'-N19 110.576 2.376 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 P-O3'-C3' 122.005 1.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.456 3.284 . 0.181 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . 0.411 " H5'" ' HG2' ' C' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.422 -2.577 0 C5'-C4'-C3' 111.089 -2.94 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.423 ' H62' ' NE ' ' A' ' 31' ' ' ARG . . . . . . . . 0 O4'--C4' 1.424 -2.396 0 N19-C1'-C2' 109.821 -2.237 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 C5'-C4'-C3' 108.317 -4.789 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.988 -2.712 . 0.874 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.783 0 C4'-C3'-C2' 99.529 -3.171 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 0 C4'-C3'-C2' 99.862 -2.838 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.728 -2.972 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.457 0 C4'-C3'-C2' 99.731 -2.969 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.638 0 C4'-C3'-C2' 100.066 -2.634 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.6 tpp . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.31 110.27 12.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.54 147.1 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt -140.96 155.18 46.29 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.95 141.52 48.59 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.403 ' HE ' ' C ' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -150.45 165.05 34.35 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.585 178.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.432 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 6.9 tptm -108.93 150.84 27.12 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 m -54.54 126.62 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 118.064 0.393 . . . . 0.0 110.347 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.39 -6.98 24.74 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.074 -0.848 . . . . 0.0 113.274 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' HE ' ' A' ' 6' ' ' ARG . 77.4 mm-40 -101.89 -179.06 3.89 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.755 1.278 . . . . 0.0 112.522 -176.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -138.5 166.64 23.77 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.4 mt -143.3 165.64 15.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 126.422 1.889 . . . . 0.0 107.884 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -134.63 153.47 51.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.394 0.678 . . . . 0.0 112.156 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -143.15 143.17 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.133 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.51 -138.94 42.97 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.699 -1.361 . . . . 0.0 109.699 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -130.18 10.62 5.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.095 0.558 . . . . 0.0 109.799 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.63 8.95 2.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.334 0.654 . . . . 0.0 111.9 -175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.58 145.75 35.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 119.108 0.867 . . . . 0.0 110.53 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.4 m -138.17 155.48 48.66 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.3 mm -134.2 149.12 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 -176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.4 m -139.74 153.27 47.15 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 122.756 0.423 . . . . 0.0 110.157 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -112.97 88.3 1.11 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.83 -30.35 71.45 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.931 -175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.41 -170.43 34.53 Favored Glycine 0 C--N 1.338 0.692 0 C-N-CA 121.138 -0.554 . . . . 0.0 112.693 173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -132.93 161.58 41.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -150.07 98.15 2.66 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.67 -113.91 6.03 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.46 -1.856 . . . . 0.0 108.46 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.0 mp0 -106.0 0.03 25.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.12 0.46 . . . . 0.0 110.329 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -78.05 160.5 28.08 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.243 0.544 . . . . 0.0 109.635 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.1 t -141.95 117.37 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -79.18 108.92 13.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 172.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -105.17 146.02 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.038 -1.468 . . . . 0.0 107.038 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.68 148.85 16.83 Favored Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 108.796 -1.722 . . . . 0.0 108.796 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.8 mt -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -136.78 101.91 4.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.54 155.73 60.35 Favored Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.326 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -73.13 153.0 51.52 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.176 2.584 . . . . 0.0 110.067 177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 4.2 mmmp? -65.96 -4.23 6.67 Favored 'General case' 0 CA--C 1.529 0.171 0 O-C-N 122.32 -0.237 . . . . 0.0 110.863 176.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -67.94 -9.2 43.32 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.067 0.947 . . . . 0.0 110.982 171.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -138.67 160.62 30.7 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 123.564 0.746 . . . . 0.0 109.901 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.32 156.73 17.39 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.002 0.43 . . . . 0.0 111.793 -175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.03 135.61 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -157.61 169.22 25.16 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.823 0.449 . . . . 0.0 111.256 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.4 mtm-85 -70.92 163.7 26.92 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 170.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -65.43 -23.83 67.04 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.995 -0.441 . . . . 0.0 111.296 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -72.2 -48.66 41.42 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 121.318 0.58 . . . . 0.0 109.991 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.2 mm -76.27 -33.67 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.008 -172.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -56.2 -41.34 75.41 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.483 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 122.361 -0.212 . . . . 0.0 111.056 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.41 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 61.5 ttm-85 -80.57 -38.86 28.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.222 -178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.614 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.9 mp -64.45 -18.26 22.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -101.08 3.06 40.97 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.533 0.733 . . . . 0.0 111.883 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.33 -32.17 4.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.725 0.41 . . . . 0.0 111.94 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.423 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 147.87 153.49 5.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.069 -1.213 . . . . 0.0 110.069 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -159.66 177.22 11.11 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 111.681 -176.16 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 p -136.53 17.41 3.12 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 124.351 1.06 . . . . 0.0 110.008 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -142.17 58.28 7.63 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 123.9 0.88 . . . . 0.0 110.86 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 68.3 Cg_exo -52.35 167.38 0.55 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.444 2.762 . . . . 0.0 114.127 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.029 179.03 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 C5'-C4'-C3' 111.367 -2.756 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.594 -3.106 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.565 0 C4'-C3'-C2' 99.426 -3.274 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.879 0 C4'-C3'-C2' 99.437 -3.263 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 98.746 -3.954 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C4'-C3'-C2' 98.843 -3.857 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 O4'-C1'-N19 111.848 3.648 . 0.367 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.429 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.164 2.964 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.429 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C5'-C4'-C3' 109.579 -3.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.479 ' H42' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.359 0 O4'-C1'-N19 111.797 3.597 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 100.478 -2.222 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O5'-C5'-C4' 112.987 1.991 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 C3'-C2'-C1' 104.288 3.098 . 0.095 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 111.225 3.025 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.564 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.066 0 C5'-C4'-C3' 111.522 -2.652 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 C5'-C4'-C3' 108.44 -4.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.755 -2.945 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.564 0 C4'-C3'-C2' 99.318 -3.382 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 100.041 -2.659 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.888 0 C4'-C3'-C2' 99.66 -3.04 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.776 0 C4'-C3'-C2' 99.421 -3.279 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 100.029 -2.671 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.8 tpp . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.842 -0.059 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.84 105.08 8.18 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 173.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -78.96 145.2 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -143.33 134.27 25.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.0 p -94.55 143.32 26.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -147.45 135.48 21.34 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.24 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 28' ' ' GLN . 3.8 tptm -83.75 149.04 26.7 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 175.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -56.49 132.08 20.34 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.28 0.85 44.24 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.69 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -115.51 -175.75 2.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.545 1.172 . . . . 0.0 111.039 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -141.25 169.3 17.86 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 60.2 mt -144.38 165.93 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 126.514 1.926 . . . . 0.0 107.41 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -138.59 154.23 48.7 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 121.403 -0.811 . . . . 0.0 112.906 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -141.31 143.04 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.29 -141.03 31.3 Favored Glycine 0 C--N 1.339 0.707 0 N-CA-C 110.314 -1.115 . . . . 0.0 110.314 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -130.03 11.22 5.53 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.553 0.741 . . . . 0.0 110.221 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -136.78 8.28 3.03 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.594 0.757 . . . . 0.0 111.733 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -130.72 146.59 33.76 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 CA-C-N 118.951 0.796 . . . . 0.0 110.865 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 39.6 m -138.22 154.96 49.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -134.51 148.93 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 22.8 m -141.23 149.29 41.18 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -111.15 91.35 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.52 -32.46 73.82 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.229 -173.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.97 -171.73 36.35 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.739 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -133.34 162.14 40.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 69.4 m -146.78 81.81 1.56 Allowed 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.09 -115.09 4.37 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -171.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -100.9 -2.39 32.12 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.432 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 25.5 mt-30 -78.08 154.62 31.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.37 123.4 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.497 ' HD3' ' H62' ' B' ' 12' ' ' ' A' . 30.3 mtm180 -85.24 120.81 27.14 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 170.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -121.91 140.88 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.71 150.16 18.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.017 -1.633 . . . . 0.0 109.017 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 1' ' ' MET . 73.7 mt -136.6 145.12 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -136.72 105.39 5.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.52 155.36 60.55 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.88 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.52 150.08 74.95 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 122.533 2.155 . . . . 0.0 109.79 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -65.53 -1.83 2.91 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.64 0.257 . . . . 0.0 110.325 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.31 -12.09 60.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.176 0.991 . . . . 0.0 110.961 172.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.58 160.65 34.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 C-N-CA 123.564 0.746 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.08 157.1 16.58 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.02 0.438 . . . . 0.0 111.622 -175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.5 129.32 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -157.21 163.14 39.14 Favored 'General case' 0 CA--C 1.522 -0.113 0 C-N-CA 122.745 0.418 . . . . 0.0 110.338 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -73.38 163.06 28.59 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 172.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.47 -38.98 78.7 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.53 -11.3 60.0 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.8 mm -102.66 -32.87 3.18 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.153 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -55.46 -42.83 74.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.912 0.324 . . . . 0.0 111.073 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.82 -20.79 66.07 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 121.452 -0.099 . . . . 0.0 111.057 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.2 -37.4 23.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 119.292 -0.385 . . . . 0.0 111.059 -177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.408 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.5 mp -61.33 -18.74 18.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 118.837 0.744 . . . . 0.0 109.174 176.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -100.5 4.1 43.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.186 0.594 . . . . 0.0 111.22 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.34 -13.55 4.37 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . 0.412 ' C ' HD22 ' C' ' 55' ' ' LEU . . . 154.74 152.71 6.22 Favored Glycine 0 C--N 1.335 0.513 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.479 ' HA ' ' H42' ' B' ' 7' ' ' ' C' . 2.8 mm? -125.36 141.48 52.05 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 117.734 0.767 . . . . 0.0 111.053 -171.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 50.1 p -143.5 -0.88 1.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 109.885 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.23 64.58 4.68 Favored Pre-proline 0 N--CA 1.45 -0.439 0 C-N-CA 124.28 1.032 . . . . 0.0 109.223 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.27 170.91 0.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 124.694 3.596 . . . . 0.0 114.598 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.982 0.913 . . . . 0.0 112.547 -179.093 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C5'-C4'-C3' 111.205 -2.864 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 99.176 -3.524 . 0.837 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C4'-C3'-C2' 99.546 -3.154 . 0.779 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.478 -3.222 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.62 0 C4'-C3'-C2' 99.016 -3.684 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.876 3.676 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.54 0 O4'-C1'-N19 112.077 3.877 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.441 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 O4'-C1'-N19 111.631 3.431 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.441 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.346 1 C5'-C4'-C3' 108.912 -4.392 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.43 ' H42' ' CB ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.425 -2.335 0 C5'-C4'-C3' 110.095 -3.603 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C5'-C4'-C3' 111.341 -2.773 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O5'-C5'-C4' 113.033 2.024 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 104.204 3.005 . 0.221 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 0 O4'-C1'-N19 110.979 2.779 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.494 0 C5'-C4'-C3' 109.51 -3.993 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.223 -3.477 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 C4'-C3'-C2' 99.679 -3.021 . 0.885 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.362 -3.338 . 0.706 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 100.063 -2.637 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.821 0 C4'-C3'-C2' 99.791 -2.909 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.632 0 C4'-C3'-C2' 99.48 -3.22 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 0 C4'-C3'-C2' 99.93 -2.77 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 50.3 tpp . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 119.865 -0.112 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.75 112.97 13.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.55 143.9 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.165 0.586 . . . . 0.0 109.691 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -142.61 134.84 27.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.8 p -95.59 144.26 26.19 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -146.15 135.22 22.65 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.093 0.557 . . . . 0.0 110.341 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.417 ' HE3' ' HG3' ' C' ' 29' ' ' GLN . 3.3 tptm -80.39 155.59 27.08 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 170.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 m -57.87 140.26 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 C-N-CA 119.1 -1.04 . . . . 0.0 110.221 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.15 -15.07 61.94 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 123.544 0.592 . . . . 0.0 112.323 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -82.63 -178.63 7.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.893 0.846 . . . . 0.0 111.032 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.3 m -142.65 166.49 24.52 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.8 mm -142.69 165.06 16.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 126.384 1.873 . . . . 0.0 107.303 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -140.29 153.68 46.55 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 118.604 0.638 . . . . 0.0 111.926 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -142.88 144.92 23.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.3 -140.08 36.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.407 -1.077 . . . . 0.0 110.407 -177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -130.22 11.14 5.43 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.392 0.677 . . . . 0.0 109.685 176.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -139.07 8.97 2.53 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.889 0.876 . . . . 0.0 112.042 -176.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -131.48 145.4 35.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 119.07 0.85 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.6 m -138.48 154.48 48.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -135.71 148.92 27.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -175.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.7 m -144.24 125.89 15.07 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.33 93.27 1.96 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.0 mt -64.72 -34.6 78.7 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.924 -176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.61 -171.36 36.75 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.669 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.38 160.73 42.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 C-N-CA 122.723 0.409 . . . . 0.0 110.306 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -148.66 98.45 2.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.65 -96.47 0.36 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 -172.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 1.2 mp0 -121.57 -2.77 9.37 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 123.381 0.673 . . . . 0.0 110.602 177.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.417 ' OE1' ' C5 ' ' D' ' 3' ' ' ' U' . 25.6 mt-30 -76.86 158.37 30.82 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.3 t -143.12 118.55 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -81.31 123.36 28.45 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 170.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.7 mt -122.43 128.11 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.03 149.83 16.89 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 108.589 -1.804 . . . . 0.0 108.589 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.1 mt -135.98 144.97 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -135.68 103.44 5.43 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.69 155.07 56.55 Favored Pre-proline 0 N--CA 1.449 -0.499 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.99 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.57 151.39 70.13 Favored 'Trans proline' 0 N--CA 1.449 -1.094 0 C-N-CA 123.088 2.526 . . . . 0.0 109.597 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -66.86 -1.34 3.84 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.214 -0.304 . . . . 0.0 110.298 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.07 -11.72 59.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.116 0.966 . . . . 0.0 110.994 172.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.47 161.07 31.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.122 0 C-N-CA 123.937 0.895 . . . . 0.0 109.531 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.12 157.47 16.97 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.757 0.313 . . . . 0.0 111.644 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.95 132.12 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 175.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -157.47 165.77 34.76 Favored 'General case' 0 C--N 1.338 0.084 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -63.5 156.32 26.67 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 168.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.38 -23.71 67.04 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 122.117 -0.364 . . . . 0.0 110.909 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -85.06 -8.72 58.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 mm -108.92 -34.19 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.158 0 C-N-CA 123.443 0.697 . . . . 0.0 109.72 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -57.38 -37.65 72.98 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 117.823 0.283 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -65.42 -21.79 66.7 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 110.695 -0.113 . . . . 0.0 110.695 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -83.43 -36.9 23.87 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 122.361 0.264 . . . . 0.0 111.175 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.85 -17.94 22.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -102.04 2.68 37.95 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.546 0.738 . . . . 0.0 111.339 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.17 -31.45 5.33 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 148.73 152.39 5.7 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 176.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -164.51 172.59 13.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.993 0.517 . . . . 0.0 111.21 -177.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.2 p -142.72 5.38 1.57 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.881 0.872 . . . . 0.0 111.316 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -63.68 -34.77 13.42 Favored Pre-proline 0 CA--C 1.541 0.608 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 51.4 Cg_exo -55.86 177.39 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.61 2.874 . . . . 0.0 113.779 174.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 123.669 0.788 . . . . 0.0 111.415 179.051 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C4'-C3'-C2' 99.96 -2.74 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.253 -3.447 . 0.82 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.478 -3.222 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 O4'-C1'-N19 111.36 3.16 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 98.932 -3.768 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 0 C4'-C3'-C2' 98.791 -3.909 . 0.636 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.162 -3.538 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.427 " H3'" ' N3 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.524 0 O4'-C1'-N19 111.864 3.664 . 0.089 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 C4'-C3'-C2' 98.82 -3.88 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.471 3.271 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 P-O3'-C3' 122.383 2.236 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O5'-C5'-C4' 113.246 2.176 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C3'-C2'-C1' 104.286 3.095 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.613 0 O4'-C1'-N19 110.821 2.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.546 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-C3' 112.365 -2.09 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.576 0 C5'-C4'-C3' 111.264 -2.824 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 100.15 -2.55 . 0.899 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 0 C4'-C3'-C2' 99.388 -3.312 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 99.791 -2.909 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.555 -3.145 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.527 0 C4'-C3'-C2' 99.625 -3.075 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C4'-C3'-C2' 100.158 -2.542 . 0.759 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 110.68 -0.118 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -129.13 112.78 14.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -89.04 143.9 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.53 134.76 31.07 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.416 ' CG2' ' H61' ' D' ' 12' ' ' ' A' . 23.6 p -86.01 156.53 20.4 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.467 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.1 ttp180 -150.49 161.88 41.67 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE2' ' CB ' ' A' ' 28' ' ' GLN . 12.9 tptm -124.59 148.01 48.12 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 175.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.24 122.88 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 118.736 0.698 . . . . 0.0 109.928 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.73 0.38 23.06 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.402 -0.666 . . . . 0.0 113.123 -178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -110.94 -169.37 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 118.285 1.042 . . . . 0.0 111.773 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.4 m -152.28 169.92 21.32 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.148 0.979 . . . . 0.0 111.609 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.467 HG13 ' HD3' ' C' ' 6' ' ' ARG . 52.5 mt -144.74 164.94 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 126.026 1.73 . . . . 0.0 107.561 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -133.59 153.31 51.76 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.1 0.476 . . . . 0.0 111.675 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.5 mt -144.71 143.57 22.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.76 -138.95 43.6 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -129.92 10.65 5.51 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.522 0.729 . . . . 0.0 109.907 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -141.68 9.17 1.98 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.21 0.604 . . . . 0.0 112.42 -175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.48 145.11 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 CA-C-N 118.942 0.792 . . . . 0.0 111.198 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -139.15 153.68 47.98 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.422 1.089 . . . . 0.0 108.095 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -132.98 149.72 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m -139.35 153.58 47.71 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 122.477 0.311 . . . . 0.0 110.302 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.404 ' HB ' HH21 ' C' ' 6' ' ' ARG . 3.6 tp -112.06 93.11 2.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 C-N-CA 123.611 0.764 . . . . 0.0 109.146 177.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -66.43 -31.95 73.02 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.594 -176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.66 -171.07 34.2 Favored Glycine 0 C--N 1.339 0.745 0 C-N-CA 121.144 -0.551 . . . . 0.0 112.54 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.66 161.73 39.92 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 CA-C-N 116.924 0.362 . . . . 0.0 110.492 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 52.6 m -149.78 106.0 3.48 Favored 'General case' 0 N--CA 1.457 -0.098 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.06 -96.9 0.33 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 -173.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.411 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 9.2 mm-40 -125.65 -0.74 7.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 123.062 0.545 . . . . 0.0 110.669 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.417 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 26.2 mt-30 -73.33 154.84 39.94 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 172.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.75 117.39 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -80.62 116.04 20.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 171.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.0 mt -114.13 140.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.75 149.84 18.68 Favored Glycine 0 C--N 1.331 0.286 0 N-CA-C 108.819 -1.713 . . . . 0.0 108.819 179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 1' ' ' MET . 75.7 mt -135.6 145.36 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -135.41 102.61 5.2 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.45 155.13 53.61 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.047 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.32 152.56 55.51 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.059 2.506 . . . . 0.0 110.482 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.96 -5.33 5.94 Favored 'General case' 0 C--N 1.339 0.149 0 O-C-N 122.291 -0.255 . . . . 0.0 110.43 175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.71 -9.08 40.56 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.066 0.946 . . . . 0.0 111.259 172.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -139.1 160.8 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.522 0.729 . . . . 0.0 109.743 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.07 156.19 17.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.51 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.39 134.88 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.069 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -157.28 169.87 23.76 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 122.997 0.519 . . . . 0.0 110.584 -176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 5.3 ptp85 -79.39 165.8 22.72 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -61.26 -24.04 66.1 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -173.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.495 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.0 tp10 -72.17 -51.06 23.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 118.628 0.649 . . . . 0.0 110.606 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.44 -31.37 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.888 -172.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -56.56 -41.6 77.15 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.178 0.444 . . . . 0.0 110.613 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -65.42 -21.05 66.62 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.981 -0.1 . . . . 0.0 111.058 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.15 -37.6 20.01 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.91 -18.73 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 118.541 0.61 . . . . 0.0 109.45 176.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -99.71 3.63 45.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.914 0.486 . . . . 0.0 111.179 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.12 -12.25 5.79 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.83 151.93 5.76 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -126.05 160.88 28.89 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.122 0.486 . . . . 0.0 110.547 -173.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -148.53 -0.53 0.55 Allowed 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.649 0.78 . . . . 0.0 110.181 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.472 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -150.73 55.09 1.61 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 123.486 0.714 . . . . 0.0 110.944 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 77.3 Cg_exo -51.59 167.62 0.39 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.163 2.575 . . . . 0.0 113.599 178.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.233 0.201 0 C-N-CA 123.352 0.661 . . . . 0.0 112.43 -178.341 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.645 0 N19-C1'-C2' 109.189 -2.632 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.627 0 C4'-C3'-C2' 99.419 -3.281 . 0.862 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.625 0 C4'-C3'-C2' 99.557 -3.143 . 0.813 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 C4'-C3'-C2' 98.988 -3.712 . 0.812 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.572 0 C4'-C3'-C2' 99.211 -3.489 . 0.67 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . 0.417 ' C5 ' ' OE1' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.257 -3.443 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.878 0 O4'-C1'-N19 112.135 3.935 . 0.386 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.428 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.573 0 C3'-C2'-C1' 104.224 3.026 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.428 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.379 1 C5'-C4'-C3' 107.572 -5.285 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 1 C5'-C4'-C3' 109.241 -4.172 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C3'-C2'-C1' 103.705 2.45 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.961 0 P-O3'-C3' 122.185 2.071 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C3'-C2'-C1' 104.312 3.124 . 0.175 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 O4'-C1'-N19 110.931 2.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.451 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 109.542 -3.972 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C4'-C3'-C2' 99.129 -3.571 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 99.138 -3.562 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C4'-C3'-C2' 99.154 -3.546 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.942 0 C4'-C3'-C2' 99.9 -2.8 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 100.023 -2.677 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.454 0 C4'-C3'-C2' 99.614 -3.086 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.972 -2.728 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 tpp . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.92 110.79 13.39 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -89.4 145.92 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.145 0 C-N-CA 123.32 0.648 . . . . 0.0 109.53 -178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 85.0 mt -141.37 157.49 45.12 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 174.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -120.58 138.21 54.0 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.1 mmp_? -144.53 134.6 24.04 Favored 'General case' 0 CA--C 1.523 -0.081 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.796 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -79.43 156.06 28.05 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 172.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -58.28 131.35 22.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 119.328 -0.949 . . . . 0.0 110.356 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.58 -14.52 42.35 Favored Glycine 0 CA--C 1.529 0.917 0 CA-C-O 119.616 -0.546 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -87.43 -179.72 6.42 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.346 1.073 . . . . 0.0 110.735 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.8 m -142.49 167.18 22.71 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.2 mm -142.71 165.03 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 126.496 1.918 . . . . 0.0 107.508 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -139.14 153.69 47.99 Favored 'General case' 0 C--N 1.338 0.083 0 O-C-N 121.677 -0.639 . . . . 0.0 112.159 -177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.4 mt -142.77 144.02 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.83 -141.63 32.17 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.334 -1.106 . . . . 0.0 110.334 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -130.0 12.22 5.65 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 123.506 0.722 . . . . 0.0 110.133 176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -137.92 7.48 2.71 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.855 0.862 . . . . 0.0 111.773 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.83 146.06 34.72 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.127 0.876 . . . . 0.0 110.914 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 m -139.04 156.68 47.01 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -137.77 147.96 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 79.6 m -143.65 127.06 16.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -79.73 95.82 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.2 mt -69.18 -30.44 68.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.961 -175.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.26 -172.07 35.87 Favored Glycine 0 C--N 1.34 0.775 0 C-N-CA 120.944 -0.645 . . . . 0.0 112.652 174.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -133.65 163.07 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.025 0.441 . . . . 0.0 110.372 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -146.69 79.38 1.52 Allowed 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.57 -114.24 4.05 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 107.878 -2.089 . . . . 0.0 107.878 -172.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -100.82 -2.35 32.43 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.971 0.385 . . . . 0.0 110.297 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 25.8 mt-30 -78.71 153.3 31.0 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -141.85 118.98 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' NE ' ' H62' ' D' ' 12' ' ' ' A' . 51.3 mtt85 -77.92 118.5 20.28 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 170.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -120.85 121.73 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.4 149.14 19.23 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 109.236 -1.545 . . . . 0.0 109.236 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 63.0 mt -133.34 144.99 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -137.75 102.95 4.87 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -176.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.23 155.75 57.95 Favored Pre-proline 0 N--CA 1.449 -0.478 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.14 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.03 151.49 67.54 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.922 2.415 . . . . 0.0 109.839 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -66.6 -1.41 3.67 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 120.546 0.212 . . . . 0.0 110.538 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.92 -10.63 58.22 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.208 1.003 . . . . 0.0 110.824 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.92 160.84 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.877 0.871 . . . . 0.0 109.603 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.27 157.35 16.45 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.856 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.05 133.19 3.9 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.107 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -157.09 167.61 29.91 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 120.825 0.345 . . . . 0.0 111.68 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -70.65 162.1 29.58 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -67.22 -23.59 65.74 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.347 -0.221 . . . . 0.0 110.665 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.67 -5.78 59.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 111.96 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -116.94 -33.35 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 C-N-CA 123.93 0.892 . . . . 0.0 110.102 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.43 -37.1 69.77 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 117.756 0.253 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.99 -21.21 66.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 122.505 -0.122 . . . . 0.0 111.132 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -87.16 -35.97 18.31 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.552 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.636 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -64.42 -17.63 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -101.49 4.25 41.02 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.278 0.631 . . . . 0.0 111.702 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -122.17 -32.78 3.62 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.863 0.465 . . . . 0.0 112.114 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 154.34 151.23 5.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -163.35 174.72 11.64 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.611 0.364 . . . . 0.0 111.241 -176.414 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.3 t -154.38 20.54 0.48 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.277 0.631 . . . . 0.0 110.581 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.626 ' H ' ' CD ' ' A' ' 58' ' ' PRO . . . -127.13 -19.59 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -172.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.626 ' CD ' ' H ' ' A' ' 57' ' ' ALA . 76.9 Cg_exo -52.51 167.43 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.26 1.973 . . . . 0.0 113.995 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t0 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.118 179.697 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.747 -2.953 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.908 0 C4'-C3'-C2' 99.386 -3.314 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.673 0 C4'-C3'-C2' 99.48 -3.22 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 O4'-C1'-N19 111.294 3.094 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 0 C4'-C3'-C2' 99.024 -3.676 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.415 -3.285 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.493 ' N4 ' HE22 ' C' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C4'-C3'-C2' 99.658 -3.042 . 0.59 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.433 " H3'" ' N3 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.65 1 O4'-C1'-N19 112.287 4.087 . 0.013 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.498 0 C4'-C3'-C2' 99.346 -3.354 . 0.044 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 111.861 3.661 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.79 0 C5'-C4'-C3' 111.789 -2.474 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 O5'-C5'-C4' 112.924 1.946 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C3'-C2'-C1' 104.374 3.194 . 0.114 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 O4'-C1'-N19 111.185 2.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.567 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 C5'-C4'-C3' 111.708 -2.528 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 1 C5'-C4'-C3' 107.793 -5.138 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C4'-C3'-C2' 99.634 -3.066 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.358 -3.342 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.605 0 C4'-C3'-C2' 99.893 -2.807 . 0.73 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.854 -2.846 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.715 0 C4'-C3'-C2' 99.568 -3.132 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.867 0 C4'-C3'-C2' 100.114 -2.586 . 0.782 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.35 103.22 7.52 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.32 146.08 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.56 158.56 43.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 171.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.3 p -121.84 145.0 48.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 174.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.479 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 1.6 tpt180 -147.68 155.61 41.93 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.289 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.43 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 7.4 tptm -98.44 150.63 21.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 20.3 m -57.09 132.23 21.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 118.417 0.553 . . . . 0.0 110.291 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.42 35.86 Favored Glycine 0 CA--C 1.53 1.026 0 CA-C-O 119.645 -0.53 . . . . 0.0 112.551 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.479 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 50.9 mm-40 -106.46 -176.66 3.14 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.125 0.963 . . . . 0.0 111.537 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.9 m -139.35 169.9 16.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -146.56 165.82 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 126.121 1.768 . . . . 0.0 107.211 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -135.64 153.43 51.63 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 119.043 0.838 . . . . 0.0 112.662 -174.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -144.65 144.0 22.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 124.153 0.981 . . . . 0.0 108.68 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.39 -141.19 38.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.71 10.63 6.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.36 0.664 . . . . 0.0 109.903 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -142.19 9.38 1.88 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.423 0.689 . . . . 0.0 111.918 -175.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.95 146.5 33.87 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 CA-C-N 118.777 0.717 . . . . 0.0 110.752 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -140.34 155.33 46.83 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.62 149.54 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 30.4 m -142.21 121.1 12.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -77.46 91.46 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 176.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 51.4 mt -67.54 -32.01 72.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -175.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.54 -169.54 35.63 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.666 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -135.68 165.88 28.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 C-N-CA 122.51 0.324 . . . . 0.0 110.631 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 15.7 t -151.4 102.84 2.94 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.14 -95.93 0.3 Allowed Glycine 0 C--N 1.335 0.509 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -172.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -124.46 1.6 8.34 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.406 0.683 . . . . 0.0 110.577 174.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.493 HE22 ' N4 ' ' B' ' 4' ' ' ' C' . 58.4 mt-30 -71.64 160.78 32.06 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 171.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 49.1 t -140.6 119.66 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -80.12 119.89 23.53 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 170.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -120.82 121.19 64.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.91 150.16 19.61 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 108.323 -1.911 . . . . 0.0 108.323 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -136.3 144.75 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 59.4 t-20 -135.04 104.19 5.85 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.54 155.01 53.28 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -178.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.4 152.49 60.69 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 123.116 2.544 . . . . 0.0 110.471 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -66.21 -2.18 4.03 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 122.38 -0.2 . . . . 0.0 110.667 175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -67.82 -11.47 58.63 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.917 0.887 . . . . 0.0 110.653 172.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.41 160.93 31.52 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.813 0.845 . . . . 0.0 109.868 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.64 157.43 16.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 122.395 0.278 . . . . 0.0 111.601 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.99 134.02 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -156.5 169.59 24.3 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 122.718 0.407 . . . . 0.0 111.484 -175.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -71.94 158.78 35.39 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 170.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -64.66 -23.28 67.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.912 -0.492 . . . . 0.0 110.718 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.48 -2.15 57.82 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.734 0.813 . . . . 0.0 111.967 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.07 -35.52 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 C-N-CA 123.776 0.83 . . . . 0.0 109.618 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -55.26 -38.08 68.08 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.319 -0.238 . . . . 0.0 111.088 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -65.23 -20.73 66.56 Favored 'General case' 0 N--CA 1.454 -0.242 0 O-C-N 122.331 -0.23 . . . . 0.0 111.164 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -87.02 -31.74 20.39 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 122.958 0.503 . . . . 0.0 111.377 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.665 ' HA ' HD13 ' C' ' 55' ' ' LEU . 2.2 mp -65.69 -17.93 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 177.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -105.43 11.22 32.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.584 0.753 . . . . 0.0 111.878 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.64 4.2 17.07 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -168.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.38 6.04 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 120.121 1.328 . . . . 0.0 110.393 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.665 HD13 ' HA ' ' C' ' 51' ' ' ILE . 0.3 OUTLIER -53.72 -179.32 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 127.158 2.183 . . . . 0.0 115.547 -177.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -140.5 17.34 2.37 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.503 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -136.13 39.88 0.47 Allowed Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 83.4 Cg_exo -48.71 -29.44 14.54 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.621 2.214 . . . . 0.0 113.647 175.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.451 -0.4 0 C-N-CA 123.563 0.745 . . . . 0.0 109.279 -174.46 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 N19-C1'-C2' 108.981 -2.762 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.05 -3.65 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.853 0 C4'-C3'-C2' 99.579 -3.121 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C4'-C3'-C2' 99.325 -3.375 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.687 0 C4'-C3'-C2' 98.825 -3.875 . 0.746 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.626 0 C4'-C3'-C2' 98.976 -3.724 . 0.624 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.607 3.407 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.414 ' N3 ' " H3'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.486 0 O4'-C1'-N19 111.999 3.799 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.663 0 C4'-C3'-C2' 99.261 -3.439 . 0.057 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 C5'-C4'-C3' 110.644 -3.237 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 110.62 2.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C4'-C3' 107.918 1.727 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 C3'-C2'-C1' 104.165 2.961 . 0.158 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 O4'-C1'-N19 110.885 2.685 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.44 ' H62' ' NE ' ' A' ' 31' ' ' ARG . . . . . . . . 0 O4'--C4' 1.426 -2.238 0 N19-C1'-C2' 109.433 -2.48 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.916 1 C5'-C4'-C3' 108.253 -4.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.691 -3.009 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.111 -3.589 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.7 0 C4'-C3'-C2' 100.174 -2.526 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.866 -2.834 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 C4'-C3'-C2' 99.477 -3.223 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.773 0 C4'-C3'-C2' 99.993 -2.707 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.652 -0.213 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.5 107.24 10.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 173.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.43 147.24 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 94.5 mt -140.03 159.85 41.26 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 171.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.7 p -120.05 140.99 50.17 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 175.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -144.29 164.16 31.57 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -113.38 155.94 24.32 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.8 m -56.06 113.43 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-O 121.104 0.478 . . . . 0.0 110.555 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.1 -14.59 8.92 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.923 0.773 . . . . 0.0 112.656 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -85.52 -175.23 5.57 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 117.753 0.777 . . . . 0.0 111.867 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -145.58 167.52 22.85 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.9 mt -143.9 165.79 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 126.549 1.939 . . . . 0.0 107.646 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.46 153.93 50.01 Favored 'General case' 0 CA--C 1.523 -0.059 0 CA-C-N 118.858 0.753 . . . . 0.0 112.338 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.3 mt -142.56 144.94 23.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 123.926 0.89 . . . . 0.0 108.722 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.62 -140.63 37.04 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -130.32 11.26 5.39 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.494 0.718 . . . . 0.0 109.529 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -139.65 8.4 2.37 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.577 0.751 . . . . 0.0 111.822 -176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.54 33.85 Favored 'Isoleucine or valine' 0 C--N 1.342 0.258 0 CA-C-N 119.139 0.881 . . . . 0.0 110.649 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -137.8 155.35 49.11 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.1 mm -134.25 148.98 29.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 107.853 -1.166 . . . . 0.0 107.853 -175.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.4 m -139.49 149.78 44.38 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -111.44 88.56 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.2 mt -64.67 -31.34 72.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.193 0.597 . . . . 0.0 111.753 -173.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.74 -168.13 34.31 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.857 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.93 160.42 35.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -147.78 79.56 1.48 Allowed 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.71 -118.11 4.92 Favored Glycine 0 C--N 1.336 0.55 0 N-CA-C 107.844 -2.102 . . . . 0.0 107.844 -171.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -99.17 0.54 43.59 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -80.94 160.61 24.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.7 t -140.46 118.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.523 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -77.62 115.26 17.23 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -113.74 143.57 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.68 151.46 17.12 Favored Glycine 0 N--CA 1.45 -0.376 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.2 mt -136.49 144.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -136.3 103.42 5.29 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.3 155.86 57.67 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.178 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.75 151.66 57.82 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.718 2.279 . . . . 0.0 110.176 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.33 -4.0 4.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.402 -0.186 . . . . 0.0 110.555 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.89 -8.02 40.21 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.397 1.079 . . . . 0.0 110.933 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -139.13 160.56 29.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 C-N-CA 123.521 0.729 . . . . 0.0 109.415 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.52 156.98 17.25 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.735 0.302 . . . . 0.0 111.455 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -153.42 133.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -157.02 167.2 31.18 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.915 0.486 . . . . 0.0 110.882 -176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.77 159.24 33.92 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 170.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -63.64 -23.79 67.52 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.795 -0.565 . . . . 0.0 111.177 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -85.13 -3.64 58.87 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.54 0.736 . . . . 0.0 111.87 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -116.91 -34.27 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 C-N-CA 123.714 0.806 . . . . 0.0 109.692 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -55.96 -38.13 69.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 117.954 0.343 . . . . 0.0 111.394 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -65.08 -20.79 66.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.221 0.082 . . . . 0.0 111.221 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.56 -35.53 19.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 122.54 0.336 . . . . 0.0 111.278 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.646 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.8 mp -65.33 -17.57 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 176.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -101.42 3.62 40.58 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.589 0.756 . . . . 0.0 111.595 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -120.1 -32.47 4.17 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.46 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 149.98 154.14 6.33 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 176.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -163.03 177.81 8.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.184 0.516 . . . . 0.0 111.488 -176.267 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -139.91 16.6 2.48 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.328 1.051 . . . . 0.0 110.336 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -144.26 57.23 4.73 Favored Pre-proline 0 CA--C 1.537 0.448 0 C-N-CA 123.189 0.596 . . . . 0.0 111.571 -177.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 93.4 Cg_exo -48.14 -33.16 20.62 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.816 3.01 . . . . 0.0 114.391 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.3 t70 . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 122.45 0.3 . . . . 0.0 111.674 -174.5 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.538 -3.162 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C4'-C3'-C2' 99.425 -3.275 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.679 0 C4'-C3'-C2' 99.51 -3.19 . 0.818 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.737 0 C4'-C3'-C2' 99.395 -3.305 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.922 0 C4'-C3'-C2' 99.034 -3.666 . 0.682 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 98.928 -3.772 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.938 0 O4'-C1'-N19 111.549 3.349 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.422 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.667 0 O4'-C1'-N19 111.714 3.514 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.422 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.241 1 C5'-C4'-C3' 109.451 -4.033 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.498 ' H42' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.6 0 O4'-C1'-N19 111.927 3.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C3'-C2'-C1' 103.507 2.23 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 P-O3'-C3' 122.131 2.026 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 111.49 -2.673 . 0.115 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.495 0 C5'-C4'-C3' 109.702 -3.865 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.861 0 C4'-C3'-C2' 99.04 -3.66 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.86 0 C4'-C3'-C2' 99.183 -3.517 . 0.871 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.961 -3.739 . 0.716 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 C4'-C3'-C2' 99.86 -2.84 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.571 0 O4'-C1'-N19 111.081 2.881 . 0.771 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.607 -3.093 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 O4'-C1'-N19 110.779 2.579 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 46.7 tpp . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.552 -0.166 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 107.53 11.71 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 174.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 145.6 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.384 0.674 . . . . 0.0 109.596 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -143.16 134.84 26.53 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 36.9 p -93.9 144.44 25.44 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.638 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 0.8 OUTLIER -147.34 129.19 15.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.452 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -75.74 146.58 39.96 Favored 'General case' 0 C--O 1.231 0.095 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 174.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -56.16 126.13 12.93 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.75 -3.02 27.47 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.138 -0.812 . . . . 0.0 113.461 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -111.6 -178.31 3.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.573 1.187 . . . . 0.0 110.98 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -136.56 169.9 16.94 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -170.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -143.58 165.94 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 126.783 2.033 . . . . 0.0 107.164 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -138.08 153.79 49.28 Favored 'General case' 0 C--O 1.232 0.179 0 O-C-N 121.333 -0.854 . . . . 0.0 112.226 -177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -142.42 145.03 24.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 124.111 0.964 . . . . 0.0 108.815 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.39 -140.2 43.29 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -129.88 10.34 5.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.627 0.771 . . . . 0.0 109.444 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -142.58 9.15 1.78 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.742 0.817 . . . . 0.0 112.308 -175.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.37 147.39 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-N 119.033 0.833 . . . . 0.0 110.88 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 34.1 m -137.65 154.74 49.67 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -134.87 148.65 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 76.4 m -144.47 135.88 25.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.05 0.452 . . . . 0.0 110.087 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -89.52 92.92 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.97 -31.77 72.88 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -174.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -167.78 34.08 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.357 -0.449 . . . . 0.0 112.361 173.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.36 164.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.083 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -145.56 64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 -113.04 3.56 Favored Glycine 0 C--N 1.335 0.5 0 N-CA-C 107.658 -2.177 . . . . 0.0 107.658 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -92.27 -6.97 49.37 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -76.96 156.11 32.2 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 121.335 0.588 . . . . 0.0 110.139 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.4 t -137.26 121.51 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.433 172.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -83.19 118.93 23.94 Favored 'General case' 0 CA--C 1.515 -0.375 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 171.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -119.57 135.65 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.72 152.05 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.7 mt -135.8 145.24 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -134.84 104.91 6.18 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.36 155.31 49.96 Favored Pre-proline 0 N--CA 1.45 -0.45 0 C-N-CA 123.897 0.879 . . . . 0.0 109.19 -177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -71.33 152.59 61.17 Favored 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.66 2.24 . . . . 0.0 110.324 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -66.09 -2.19 3.9 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.924 -0.485 . . . . 0.0 110.371 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.18 -11.6 59.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.891 0.876 . . . . 0.0 110.868 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -138.43 160.55 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 123.825 0.85 . . . . 0.0 109.286 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.61 155.56 17.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.973 0.416 . . . . 0.0 111.542 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.91 133.61 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.106 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -155.69 165.86 35.25 Favored 'General case' 0 C--N 1.338 0.099 0 CA-C-O 121.044 0.449 . . . . 0.0 111.634 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 27.8 ttp-105 -68.75 154.48 41.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 170.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -61.37 -23.78 66.01 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.528 0.604 . . . . 0.0 112.076 -176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -71.83 -36.58 70.25 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.45 0.643 . . . . 0.0 110.358 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -91.83 -32.12 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.93 -170.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -55.9 -40.33 72.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 117.916 0.325 . . . . 0.0 110.495 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.8 -20.85 66.61 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 122.413 -0.18 . . . . 0.0 110.987 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . 0.415 ' HD2' ' C5 ' ' B' ' 7' ' ' ' C' . 41.1 ttm180 -87.42 -36.87 17.49 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 119.07 -0.49 . . . . 0.0 111.749 -176.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.23 -18.65 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 118.759 0.709 . . . . 0.0 109.606 176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -98.18 3.67 49.0 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.09 0.556 . . . . 0.0 111.124 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.51 -12.69 4.39 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -175.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.0 151.97 5.86 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.498 ' HA ' ' H42' ' B' ' 7' ' ' ' C' . 2.7 mm? -125.92 160.81 28.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 117.173 0.486 . . . . 0.0 110.539 -172.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 64.3 p -141.56 1.23 1.53 Allowed 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.802 0.841 . . . . 0.0 110.805 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.528 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -151.22 39.32 0.17 Allowed Pre-proline 0 CA--C 1.539 0.546 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 81.0 Cg_exo -47.67 -42.2 30.08 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.614 2.209 . . . . 0.0 113.431 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 123.924 0.89 . . . . 0.0 109.313 -176.619 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.068 -2.955 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C4'-C3'-C2' 99.496 -3.204 . 0.845 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.668 0 C4'-C3'-C2' 99.706 -2.994 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.378 -3.322 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C4'-C3'-C2' 98.974 -3.726 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.425 0 C4'-C3'-C2' 99.026 -3.674 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.726 0 C4'-C3'-C2' 99.307 -3.393 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.446 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.579 3.379 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.446 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.435 0 C5'-C4'-C3' 109.681 -3.879 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 O4'-C1'-N19 111.743 3.543 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.946 0 C5'-C4'-C3' 110.618 -3.255 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O5'-C5'-C4' 112.572 1.694 . 0.015 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C3'-C2'-C1' 104.292 3.102 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 O4'-C1'-N19 110.505 2.305 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.51 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.108 0 C5'-C4'-C3' 112.177 -2.216 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.903 1 C5'-C4'-C3' 108.401 -4.733 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 0 C4'-C3'-C2' 99.495 -3.205 . 0.888 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 99.29 -3.41 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 0 C4'-C3'-C2' 99.86 -2.84 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.733 -2.967 . 0.756 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.803 0 C4'-C3'-C2' 99.441 -3.259 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 O4'-C1'-N19 110.876 2.676 . 0.777 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.76 109.26 11.84 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -84.58 144.87 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.91 134.93 27.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.0 p -91.38 145.63 24.47 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -146.52 127.37 14.43 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -79.88 148.74 31.19 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.813 -1.181 . . . . 0.0 107.813 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.3 m -57.86 129.99 20.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.78 2.95 43.02 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.755 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -112.25 -176.92 3.03 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.395 1.097 . . . . 0.0 111.048 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -141.46 169.84 16.85 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -145.1 165.54 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.355 1.862 . . . . 0.0 107.418 -178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -136.22 153.56 51.18 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.485 -0.76 . . . . 0.0 112.427 -176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.7 mt -142.66 142.6 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.72 -140.3 38.03 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.364 -1.095 . . . . 0.0 110.364 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.34 10.69 5.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.47 0.708 . . . . 0.0 109.548 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -139.87 9.1 2.36 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.261 0.625 . . . . 0.0 111.972 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.12 146.05 34.46 Favored 'Isoleucine or valine' 0 C--N 1.342 0.267 0 CA-C-N 118.77 0.714 . . . . 0.0 110.671 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -138.92 154.23 48.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.81 149.36 30.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 83.3 m -141.93 150.93 42.12 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -111.6 97.32 5.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.99 -33.68 74.07 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.776 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.11 -175.46 36.9 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 121.288 -0.482 . . . . 0.0 112.787 173.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.29 161.36 39.62 Favored 'Isoleucine or valine' 0 C--N 1.342 0.269 0 CA-C-N 117.154 0.477 . . . . 0.0 110.473 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 m -153.09 107.13 3.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.41 -104.76 1.04 Allowed Glycine 0 C--N 1.335 0.489 0 N-CA-C 108.776 -1.73 . . . . 0.0 108.776 -173.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 28' ' ' GLN . 7.7 mm-40 -116.77 -3.59 11.7 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.583 0.753 . . . . 0.0 109.987 175.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 26.6 mt-30 -73.84 152.89 40.12 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 173.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -144.81 120.37 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 34.8 mtm180 -82.1 122.95 28.5 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 170.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.11 140.64 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.76 147.73 18.91 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -135.57 144.86 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -135.42 103.0 5.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.78 155.23 56.18 Favored Pre-proline 0 N--CA 1.449 -0.476 0 C-N-CA 123.604 0.762 . . . . 0.0 109.331 -177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.7 152.5 58.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.082 2.521 . . . . 0.0 110.231 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.61 -2.15 3.26 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.446 -0.159 . . . . 0.0 110.728 175.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.61 -11.45 60.06 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.988 0.915 . . . . 0.0 110.651 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -138.29 160.9 31.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.691 0.796 . . . . 0.0 109.286 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.7 157.23 17.33 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 111.546 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.3 131.24 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -159.1 165.59 33.49 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 122.774 0.429 . . . . 0.0 111.687 -176.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -67.37 159.67 28.93 Favored 'General case' 0 C--N 1.339 0.134 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 168.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.53 -33.82 73.2 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.63 0.372 . . . . 0.0 111.337 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.41 -14.26 60.08 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.8 mm -102.34 -33.95 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 C-N-CA 123.133 0.573 . . . . 0.0 109.697 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -55.32 -39.22 69.7 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.398 -0.189 . . . . 0.0 111.192 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.28 -21.71 66.76 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.622 0.192 . . . . 0.0 111.193 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -83.39 -35.7 24.87 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 119.605 -0.236 . . . . 0.0 111.164 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.61 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -65.24 -17.41 21.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -102.77 2.44 35.6 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.336 0.654 . . . . 0.0 111.258 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.17 -29.32 5.95 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.113 0.415 . . . . 0.0 111.719 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 146.54 153.19 5.82 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -164.62 172.92 12.54 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.022 0.529 . . . . 0.0 110.885 -178.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.7 p -143.74 6.83 1.43 Allowed 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.736 0.814 . . . . 0.0 110.947 179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -63.97 -36.26 19.76 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 118.27 -0.871 . . . . 0.0 113.141 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 65.8 Cg_exo -54.89 168.49 1.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.047 2.498 . . . . 0.0 114.853 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 CA--C 1.532 0.259 0 C-N-CA 124.486 1.114 . . . . 0.0 112.167 -179.65 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.368 0 C4'-C3'-C2' 100.007 -2.693 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.214 -3.486 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.503 -3.197 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.412 -3.288 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C4'-C3'-C2' 99.161 -3.539 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.007 -3.693 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.219 -3.481 . 0.392 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.416 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.512 0 C3'-C2'-C1' 103.96 2.734 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.416 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C5'-C4'-C3' 109.581 -3.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.635 0 O4'-C1'-N19 111.788 3.588 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.603 0 P-O3'-C3' 122.294 2.162 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.07 0 O5'-C5'-C4' 113.05 2.036 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C3'-C2'-C1' 104.299 3.11 . 0.092 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.562 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C5'-C4'-C3' 112.423 -2.052 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.907 0 C4'-C3'-C2' 99.408 -3.292 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C4'-C3'-C2' 99.759 -2.941 . 0.906 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.181 -3.519 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.609 0 C4'-C3'-C2' 99.987 -2.713 . 0.693 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 C4'-C3'-C2' 99.704 -2.996 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.557 -3.143 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.619 0 C4'-C3'-C2' 100.118 -2.582 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 119.867 -0.111 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.6 112.5 15.57 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.016 -1.475 . . . . 0.0 107.016 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -87.71 144.86 8.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.37 133.73 29.86 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 170.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -87.61 148.14 24.97 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 172.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.425 ' HD3' HG13 ' C' ' 12' ' ' ILE . 36.4 ttp180 -148.08 155.93 42.04 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.452 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 8.3 tptm -109.81 144.14 38.68 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.446 ' CG1' ' HA2' ' C' ' 24' ' ' GLY . 34.4 t -53.25 113.34 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 175.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.28 6.52 8.88 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.789 -175.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -121.73 -168.04 1.63 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.437 1.119 . . . . 0.0 111.54 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 53.7 m -152.81 168.51 25.51 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.444 0.698 . . . . 0.0 111.691 -170.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.425 HG13 ' HD3' ' C' ' 6' ' ' ARG . 31.2 mt -145.36 165.25 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 126.449 1.9 . . . . 0.0 107.706 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -134.85 153.34 52.08 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.885 0.474 . . . . 0.0 111.263 -178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.5 mt -143.6 143.94 23.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.98 -138.25 45.33 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -130.34 10.06 5.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.538 0.735 . . . . 0.0 110.041 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -141.61 9.75 2.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 118.904 -0.57 . . . . 0.0 112.079 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 146.28 34.25 Favored 'Isoleucine or valine' 0 C--N 1.341 0.224 0 CA-C-N 119.152 0.887 . . . . 0.0 110.922 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -138.51 153.69 48.76 Favored 'General case' 0 N--CA 1.457 -0.092 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -133.61 149.61 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 -176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 11.1 m -138.28 154.71 49.03 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 tp -115.31 90.06 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 123.576 0.75 . . . . 0.0 109.048 178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.0 -23.99 63.23 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.973 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' C' ' 8' ' ' VAL . . . 153.93 -173.45 32.56 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 121.094 -0.574 . . . . 0.0 113.284 177.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.57 159.68 42.9 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 175.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -147.18 83.58 1.57 Allowed 'General case' 0 CA--C 1.52 -0.189 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.4 -118.21 5.21 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 107.547 -2.221 . . . . 0.0 107.547 -171.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.81 0.45 41.59 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.01 160.48 27.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.277 0.561 . . . . 0.0 109.573 172.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.43 119.01 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -80.23 116.01 20.09 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 171.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mt -116.19 142.0 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 107.148 -1.426 . . . . 0.0 107.148 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.7 149.65 18.5 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 108.709 -1.756 . . . . 0.0 108.709 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 70.3 mt -134.86 145.4 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.43 102.62 5.01 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.28 154.93 57.91 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.243 -0.89 . . . . 0.0 108.71 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.44 152.13 65.59 Favored 'Trans proline' 0 N--CA 1.449 -1.11 0 C-N-CA 122.758 2.305 . . . . 0.0 109.76 176.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.65 -2.82 3.87 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 122.413 -0.179 . . . . 0.0 110.536 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -68.18 -11.33 59.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.067 0.947 . . . . 0.0 110.896 173.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m -138.47 160.83 31.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 C-N-CA 123.442 0.697 . . . . 0.0 109.224 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.17 155.36 18.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.032 0.444 . . . . 0.0 111.682 -174.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.35 132.02 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.127 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -156.89 167.41 30.55 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -69.74 163.15 26.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -65.5 -24.15 67.07 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.298 -0.251 . . . . 0.0 111.276 -176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.8 -48.55 30.65 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.496 0.665 . . . . 0.0 110.021 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mm -74.4 -33.18 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.129 -173.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -56.21 -42.92 77.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 122.0 -0.437 . . . . 0.0 110.883 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.82 -20.76 66.36 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.464 -0.148 . . . . 0.0 110.774 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.61 -37.22 23.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.834 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.91 -18.69 21.76 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -98.27 3.74 48.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.371 0.668 . . . . 0.0 111.323 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.62 -13.35 5.95 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.74 153.17 6.13 Favored Glycine 0 C--N 1.337 0.603 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -127.06 156.02 42.35 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.942 0.401 . . . . 0.0 110.564 -172.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 66.8 p -142.58 0.04 1.25 Allowed 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 123.988 0.915 . . . . 0.0 110.489 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.453 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -153.19 56.84 1.78 Allowed Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 123.419 0.687 . . . . 0.0 110.789 179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 76.6 Cg_exo -51.36 168.48 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 123.544 2.829 . . . . 0.0 114.02 178.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.633 -179.436 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.624 0 C5'-C4'-C3' 111.056 -2.962 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.854 0 C4'-C3'-C2' 99.359 -3.341 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.522 0 C4'-C3'-C2' 99.605 -3.095 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.602 0 C4'-C3'-C2' 99.362 -3.338 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.151 -3.549 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . 0.419 ' C5 ' ' OE1' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.424 -2.41 0 C4'-C3'-C2' 98.746 -3.954 . 0.655 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.745 3.545 . 0.303 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.438 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C3'-C2'-C1' 104.188 2.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.438 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 C5'-C4'-C3' 109.288 -4.142 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 111.693 3.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.862 0 C3'-C2'-C1' 103.575 2.306 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 P-O3'-C3' 122.177 2.064 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 C3'-C2'-C1' 104.292 3.102 . 0.141 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O4'-C1'-N19 111.105 2.905 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.578 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 O3'-P-O5' 100.196 -2.002 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C5'-C4'-C3' 111.524 -2.651 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.63 0 C4'-C3'-C2' 99.885 -2.815 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.748 0 C4'-C3'-C2' 99.34 -3.36 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.985 -2.715 . 0.718 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 C4'-C3'-C2' 100.025 -2.675 . 0.783 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.597 -3.103 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.754 0 C4'-C3'-C2' 100.023 -2.677 . 0.8 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 48.9 tpp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.33 109.64 11.99 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.96 146.19 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.6 mt -139.52 162.69 34.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 173.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.9 p -125.0 139.5 53.76 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -143.45 139.03 29.7 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.458 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -81.34 152.7 27.39 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -58.78 130.48 22.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 118.731 -1.187 . . . . 0.0 110.34 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.94 -14.76 37.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 123.875 0.75 . . . . 0.0 112.199 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -84.51 179.5 7.39 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.96 0.88 . . . . 0.0 111.167 -179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 m -140.49 167.17 22.79 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -142.54 165.23 16.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.994 1.718 . . . . 0.0 107.189 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -137.77 153.38 49.7 Favored 'General case' 0 N--CA 1.456 -0.141 0 O-C-N 121.701 -0.624 . . . . 0.0 112.175 -176.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.3 mt -144.39 142.26 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 124.082 0.953 . . . . 0.0 108.517 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.64 -140.08 41.33 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -177.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -129.77 10.78 5.59 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.521 0.728 . . . . 0.0 109.748 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -141.25 8.7 2.04 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.304 0.641 . . . . 0.0 111.91 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.92 146.3 34.34 Favored 'Isoleucine or valine' 0 C--N 1.341 0.212 0 CA-C-N 118.852 0.751 . . . . 0.0 110.379 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 35.6 m -139.99 156.39 46.65 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.371 1.068 . . . . 0.0 108.136 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.5 mm -135.97 148.6 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.2 m -143.86 125.04 14.52 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.11 95.58 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.0 mt -68.1 -32.06 72.1 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.129 -0.357 . . . . 0.0 111.094 -176.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.09 -171.57 35.07 Favored Glycine 0 C--N 1.337 0.629 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.629 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.19 162.59 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 122.867 0.467 . . . . 0.0 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 p -153.21 92.45 1.62 Allowed 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 177.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.58 -119.45 6.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 107.821 -2.112 . . . . 0.0 107.821 -170.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.74 -0.21 34.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.849 0.325 . . . . 0.0 110.53 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 24.8 mt-30 -79.76 154.91 28.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -142.29 122.56 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 37.9 mtm180 -83.2 122.23 28.12 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 170.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.42 124.18 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.77 149.21 18.78 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 109.034 -1.626 . . . . 0.0 109.034 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 66.3 mt -133.59 145.43 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -136.03 103.42 5.35 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.35 152.87 51.24 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.709 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -67.59 151.51 79.39 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.656 2.238 . . . . 0.0 108.99 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.663 ' HE2' ' N3 ' ' D' ' 9' ' ' ' G' . 0.3 OUTLIER -64.14 -6.09 5.96 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 177.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.71 -10.4 36.4 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.741 1.216 . . . . 0.0 111.553 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m -137.13 159.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.45 154.36 17.31 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.835 0.35 . . . . 0.0 111.158 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG12 ' N1 ' ' D' ' 9' ' ' ' G' . 1.2 p -153.45 131.09 2.33 Favored 'Isoleucine or valine' 0 C--N 1.337 0.058 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 172.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -155.81 166.18 34.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 120.586 0.231 . . . . 0.0 111.303 -175.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -69.25 162.14 27.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -65.34 -28.97 69.66 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 122.209 -0.307 . . . . 0.0 110.305 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.09 -6.14 57.14 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.691 0.797 . . . . 0.0 112.626 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.9 mm -116.41 -33.54 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 C-N-CA 124.06 0.944 . . . . 0.0 109.925 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -56.07 -36.13 67.73 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 117.887 0.312 . . . . 0.0 111.342 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.13 -21.55 66.81 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 122.352 -0.218 . . . . 0.0 111.041 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 60.1 ttm-85 -86.75 -36.27 18.72 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 122.607 0.363 . . . . 0.0 111.554 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.617 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.7 mp -65.35 -18.07 23.17 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -100.91 2.77 41.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.378 0.671 . . . . 0.0 111.326 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -116.75 -31.14 5.57 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.663 0.385 . . . . 0.0 111.964 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 146.3 152.93 5.75 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 176.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -163.3 172.13 15.11 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.095 0.558 . . . . 0.0 111.197 -178.133 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 65.1 p -144.03 3.76 1.23 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.867 0.867 . . . . 0.0 110.988 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -65.93 -32.61 5.97 Favored Pre-proline 0 CA--C 1.538 0.5 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 78.5 Cg_exo -53.65 171.99 0.28 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.382 2.721 . . . . 0.0 114.334 175.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 123.738 0.815 . . . . 0.0 111.546 178.872 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.843 0 C5'-C4'-C3' 111.461 -2.693 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 C4'-C3'-C2' 99.281 -3.419 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C4'-C3'-C2' 99.533 -3.167 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 O4'-C1'-N19 111.287 3.087 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 98.766 -3.934 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.393 0 O4'-C1'-N19 112.085 3.885 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 O4'-C1'-N19 111.546 3.346 . 0.318 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 1 C5'-C4'-C3' 109.358 -4.094 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-O4' 114.144 3.531 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.4 0 O4'-C1'-N19 111.581 3.381 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.69 0 P-O3'-C3' 122.224 2.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.256 0 P-O3'-C3' 122.167 2.056 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 C3'-C2'-C1' 104.154 2.949 . 0.113 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O4'-C1'-N19 111.271 3.071 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.542 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 C5'-C4'-C3' 111.889 -2.407 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.667 1 C5'-C4'-C3' 108.232 -4.845 . 0.0 OUTLIER beta 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 C4'-C3'-C2' 99.68 -3.02 . 0.393 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.483 -3.217 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C4'-C3'-C2' 99.716 -2.984 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.774 0 O4'-C1'-N19 111.2 3.0 . 0.784 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.745 0 C4'-C3'-C2' 99.552 -3.148 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C4'-C3'-C2' 99.75 -2.95 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 47.1 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.585 -0.245 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.01 104.4 8.87 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.96 146.43 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.55 155.19 46.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 21.8 p -116.8 145.06 43.77 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 2.8 mmp_? -143.6 164.66 29.77 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.433 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 10.8 tptm -113.82 151.79 31.58 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 105.971 -1.863 . . . . 0.0 105.971 174.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.7 m -56.26 119.74 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-N 119.096 0.862 . . . . 0.0 110.042 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.37 4.96 21.66 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 119.377 -0.679 . . . . 0.0 113.016 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -113.37 -178.77 3.46 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.536 1.168 . . . . 0.0 110.988 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.2 m -143.87 167.44 22.32 Favored 'General case' 0 C--N 1.34 0.194 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -142.77 165.19 16.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 126.3 1.84 . . . . 0.0 107.52 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -134.65 153.5 51.95 Favored 'General case' 0 N--CA 1.46 0.071 0 O-C-N 121.802 -0.561 . . . . 0.0 111.211 -176.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 55.4 mt -144.44 141.78 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.43 -139.37 41.99 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 -178.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -130.23 10.88 5.39 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.579 0.752 . . . . 0.0 109.415 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -141.41 9.28 2.04 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.292 0.637 . . . . 0.0 112.054 -175.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.25 146.28 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 CA-C-N 118.951 0.796 . . . . 0.0 110.576 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.7 m -140.64 155.67 46.46 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 mm -133.66 149.24 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 74.6 m -144.57 126.89 15.8 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -80.57 96.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 176.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 mt -70.26 -33.13 71.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.307 -175.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.07 -172.43 36.56 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.272 176.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -135.93 161.92 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 122.576 0.35 . . . . 0.0 110.256 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.4 p -153.73 114.64 4.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.99 -99.29 0.3 Allowed Glycine 0 C--N 1.334 0.421 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -172.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -125.96 1.02 7.3 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.26 0.624 . . . . 0.0 110.605 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -74.16 160.29 31.4 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 172.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -140.65 120.22 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -79.93 121.52 25.55 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -124.0 125.73 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.64 150.18 19.29 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 108.646 -1.782 . . . . 0.0 108.646 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 1' ' ' MET . 64.8 mt -135.61 145.06 32.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -134.97 105.35 6.34 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -177.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.79 155.31 48.26 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 123.837 0.855 . . . . 0.0 108.999 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.71 152.66 59.06 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.008 2.472 . . . . 0.0 110.277 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -65.89 -5.21 8.48 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.983 -0.448 . . . . 0.0 110.372 175.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -9.28 44.37 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.106 0.963 . . . . 0.0 111.082 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.12 161.33 28.82 Favored 'Isoleucine or valine' 0 C--O 1.232 0.148 0 C-N-CA 123.637 0.775 . . . . 0.0 109.006 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.51 156.35 18.3 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 122.15 -0.344 . . . . 0.0 111.515 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.14 132.04 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -157.88 164.71 36.65 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 122.577 0.351 . . . . 0.0 110.413 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' C' ' 46' ' ' GLU . 4.9 ptp85 -72.7 163.64 27.77 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 171.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -60.45 -24.87 65.56 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' C' ' 44' ' ' ARG . 11.4 tp10 -70.85 -51.75 24.57 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 118.645 0.657 . . . . 0.0 110.605 177.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -74.4 -32.28 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.956 -171.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.3 -40.89 68.33 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 118.412 0.551 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.9 -20.69 65.96 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.0 -0.091 . . . . 0.0 111.103 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -85.1 -34.03 22.29 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 122.744 0.418 . . . . 0.0 111.822 -176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.426 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.6 mp -64.01 -18.37 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -105.46 2.81 28.92 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.63 0.772 . . . . 0.0 112.73 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.5 -8.58 13.85 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.74 -0.89 3.12 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-N 118.987 0.812 . . . . 0.0 112.788 177.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.1 mm? 62.72 164.5 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 125.059 1.344 . . . . 0.0 113.268 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 70.9 p -147.73 5.55 0.79 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.089 1.356 . . . . 0.0 109.687 177.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.46 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -146.04 59.59 5.67 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 123.586 0.754 . . . . 0.0 111.165 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 69.7 Cg_exo -54.37 -168.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 124.655 3.57 . . . . 0.0 115.58 176.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 N--CA 1.449 -0.477 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.226 -174.328 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.577 -3.123 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 C4'-C3'-C2' 99.352 -3.348 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.768 0 C4'-C3'-C2' 99.445 -3.255 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 0 C4'-C3'-C2' 99.449 -3.251 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 98.875 -3.825 . 0.664 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.088 -3.612 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.743 0 O4'-C1'-N19 111.632 3.432 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.421 0 O4'-C1'-N19 112.173 3.973 . 0.025 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C5'-C4'-O4' 113.687 3.205 . 0.045 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.404 ' C5 ' ' HD2' ' A' ' 50' ' ' ARG . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 C5'-C4'-C3' 110.914 -3.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.656 2.456 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . 0.663 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C5'-C4'-O4' 112.15 2.107 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C5'-C4'-C3' 110.739 -3.174 . 0.08 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.555 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 110.06 1.86 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 C5'-C4'-C3' 111.301 -2.8 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 100.038 -2.662 . 0.911 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 0 C4'-C3'-C2' 99.383 -3.317 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C4'-C3'-C2' 99.985 -2.715 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 0 C4'-C3'-C2' 99.879 -2.821 . 0.764 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.72 0 C4'-C3'-C2' 99.45 -3.25 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.674 0 C4'-C3'-C2' 99.971 -2.729 . 0.787 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 47.9 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 110.901 -0.037 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.26 110.64 13.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.16 144.56 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -142.23 134.76 28.09 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 174.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -92.96 142.98 26.7 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 173.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -149.07 134.35 18.35 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -83.56 151.63 25.27 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.18 134.07 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 120.215 -0.594 . . . . 0.0 109.81 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.74 -0.62 52.37 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.286 -0.73 . . . . 0.0 112.965 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -109.18 -175.96 2.9 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.485 1.142 . . . . 0.0 110.489 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -140.88 169.57 17.38 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -171.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -143.89 165.68 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 126.441 1.896 . . . . 0.0 107.559 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -133.11 153.42 51.53 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 121.376 -0.828 . . . . 0.0 112.145 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.7 mt -144.56 140.41 23.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 123.651 0.78 . . . . 0.0 109.016 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.3 -140.46 42.62 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -130.58 10.7 5.21 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.079 0.551 . . . . 0.0 109.869 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -140.09 9.21 2.32 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.412 0.685 . . . . 0.0 111.655 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.96 148.01 32.3 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.77 0.714 . . . . 0.0 109.98 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -140.68 156.24 46.28 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -133.69 149.11 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -174.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -140.13 150.42 44.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -111.5 90.44 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.66 -31.04 71.46 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.445 -172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.8 -171.74 35.5 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.964 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.94 160.44 42.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 177.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.9 m -146.37 81.15 1.57 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.99 -118.85 6.15 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -171.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -93.82 -4.55 49.96 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.442 ' OE1' ' C5 ' ' D' ' 3' ' ' ' U' . 23.1 mt-30 -80.91 149.66 29.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.9 124.71 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 29.3 mtm180 -85.41 120.98 27.48 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 170.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.46 141.59 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.68 -1.229 . . . . 0.0 107.68 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.92 150.78 18.46 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -135.85 145.3 31.47 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.21 103.7 5.4 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 -177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.13 155.67 54.75 Favored Pre-proline 0 N--CA 1.451 -0.412 0 CA-C-N 115.283 -0.872 . . . . 0.0 109.109 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.21 152.96 51.03 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.279 2.652 . . . . 0.0 110.397 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? -65.79 -4.42 6.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 122.246 -0.284 . . . . 0.0 110.686 175.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.23 -9.9 50.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.967 0.907 . . . . 0.0 110.746 172.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m -138.52 161.01 31.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 C-N-CA 123.536 0.734 . . . . 0.0 109.474 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.72 156.17 18.01 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -175.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.56 133.2 3.6 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -157.35 165.9 34.54 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.135 0.493 . . . . 0.0 112.066 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -64.91 157.04 29.11 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -64.81 -24.51 67.57 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 117.802 0.274 . . . . 0.0 111.392 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -72.05 -46.9 55.2 Favored 'General case' 0 C--O 1.228 -0.066 0 CA-C-O 121.53 0.681 . . . . 0.0 110.026 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.7 -34.12 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.841 -172.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -55.4 -41.06 72.2 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 118.195 0.452 . . . . 0.0 110.959 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -66.92 -21.04 66.0 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.483 -0.135 . . . . 0.0 110.972 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -84.25 -34.06 23.92 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.807 0.443 . . . . 0.0 111.328 -176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.424 ' HA ' ' CD1' ' A' ' 55' ' ' LEU . 2.5 mp -65.23 -18.11 23.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -105.34 6.59 32.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.316 0.646 . . . . 0.0 112.023 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.26 -8.85 13.93 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -0.34 5.36 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-N 119.124 0.874 . . . . 0.0 112.499 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 51' ' ' ILE . 2.1 mm? 63.38 158.57 0.08 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.274 1.43 . . . . 0.0 112.749 -177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 72.8 p -149.89 -5.42 0.35 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.446 1.098 . . . . 0.0 110.386 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.439 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -150.88 55.49 1.73 Allowed Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 123.755 0.822 . . . . 0.0 111.054 -177.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 77.0 Cg_exo -46.64 -34.85 16.02 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.42 2.747 . . . . 0.0 113.869 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 CA--C 1.531 0.212 0 C-N-CA 122.884 0.474 . . . . 0.0 111.479 -176.83 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C5'-C4'-C3' 111.528 -2.648 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.589 0 C4'-C3'-C2' 99.481 -3.219 . 0.851 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.698 -3.002 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 0 C4'-C3'-C2' 99.525 -3.175 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.798 0 C4'-C3'-C2' 98.818 -3.882 . 0.622 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.32 0 O4'-C1'-N19 111.601 3.401 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 O4'-C1'-N19 111.526 3.326 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.512 ' C4 ' H5'' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 110.288 -3.475 OUTLIER-DELTA 0.088 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.444 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.61 1 C5'-C4'-C3' 109.487 -4.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 O4'-C1'-N19 111.387 3.187 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.647 0 C5'-C4'-C3' 112.007 -2.329 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 0 P-O3'-C3' 121.828 1.773 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C3'-C2'-C1' 104.361 3.179 . 0.099 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.567 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.548 0 C5'-C4'-C3' 112.034 -2.311 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 1 C5'-C4'-C3' 108.121 -4.919 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C4'-C3'-C2' 99.641 -3.059 . 0.16 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.809 0 C4'-C3'-C2' 99.385 -3.315 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.958 0 C4'-C3'-C2' 99.994 -2.706 . 0.709 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.651 -3.049 . 0.776 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.672 0 C4'-C3'-C2' 99.876 -2.824 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.73 0 N19-C1'-C2' 109.052 -2.717 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.697 -0.112 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.39 108.42 10.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 175.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.5 146.67 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -140.31 155.12 46.94 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 173.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -118.26 144.77 45.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.09 165.43 36.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -107.5 154.86 20.75 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 30.5 m -56.18 124.24 9.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.51 -3.46 24.87 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.487 -0.618 . . . . 0.0 113.632 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -104.18 -179.31 3.91 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.545 1.172 . . . . 0.0 112.179 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 46.4 m -138.76 165.65 26.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 16.3 mt -144.12 165.86 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 126.383 1.873 . . . . 0.0 108.165 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -135.18 153.38 51.98 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-O 121.521 0.676 . . . . 0.0 112.221 -175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.4 mt -143.11 144.39 23.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.58 -138.85 40.23 Favored Glycine 0 C--N 1.338 0.663 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -129.93 10.62 5.5 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 123.337 0.655 . . . . 0.0 109.594 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -141.88 9.75 1.96 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.213 0.605 . . . . 0.0 111.938 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.58 146.66 33.67 Favored 'Isoleucine or valine' 0 C--N 1.339 0.127 0 CA-C-N 119.218 0.917 . . . . 0.0 110.388 -178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.0 m -138.45 155.88 48.06 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.357 1.063 . . . . 0.0 108.303 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -133.32 149.15 31.06 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 -176.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -139.96 151.89 45.89 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 6.1 tp -115.12 89.95 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.46 0.07 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 31.9 mt -65.88 -32.33 73.78 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.47 -173.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.74 -170.24 35.23 Favored Glycine 0 C--N 1.339 0.722 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.91 174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 m -133.11 164.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.026 0 C-N-CA 122.972 0.509 . . . . 0.0 110.163 178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.3 t -152.94 102.64 2.68 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.14 -111.05 3.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 -170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -108.51 0.35 20.86 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.938 0.495 . . . . 0.0 111.046 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -80.01 156.78 27.0 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.5 t -143.1 120.79 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -80.59 119.22 22.94 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 170.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.83 141.57 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.44 149.93 18.51 Favored Glycine 0 CA--C 1.52 0.359 0 N-CA-C 109.062 -1.615 . . . . 0.0 109.062 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 1' ' ' MET . 69.5 mt -137.19 145.15 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -135.82 105.68 6.22 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 -177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.18 155.89 50.57 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.59 -178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.58 151.46 58.62 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.928 2.419 . . . . 0.0 110.144 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -64.65 -2.43 2.43 Favored 'General case' 0 C--N 1.339 0.144 0 O-C-N 122.16 -0.337 . . . . 0.0 110.642 175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.83 -11.47 60.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.013 0.925 . . . . 0.0 110.7 173.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.7 m -138.24 160.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.339 0.14 0 C-N-CA 123.619 0.768 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.45 156.13 17.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 111.545 -175.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.83 133.85 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -158.06 172.95 17.49 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.836 0.351 . . . . 0.0 111.373 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.28 160.25 32.7 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 168.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -65.47 -28.2 69.04 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.73 -9.7 59.14 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.916 0.886 . . . . 0.0 112.167 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.45 -34.99 2.42 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 C-N-CA 123.707 0.803 . . . . 0.0 109.957 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -54.71 -38.93 67.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 118.036 0.38 . . . . 0.0 111.411 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.86 -21.93 66.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.444 -0.16 . . . . 0.0 111.344 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -87.01 -30.6 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 119.347 -0.358 . . . . 0.0 111.646 -176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' C' ' 55' ' ' LEU . 2.5 mp -64.22 -18.9 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -105.4 2.42 28.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.342 0.657 . . . . 0.0 112.445 -176.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.78 -14.11 13.13 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -172.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.26 -9.6 0.83 Allowed Glycine 0 CA--C 1.528 0.906 0 CA-C-N 119.561 1.073 . . . . 0.0 113.765 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' C' ' 51' ' ' ILE . 2.8 mm? 65.42 153.58 0.07 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.255 1.422 . . . . 0.0 113.732 179.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 44.1 p -153.66 -15.39 0.14 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.8 1.64 . . . . 0.0 109.611 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.05 67.51 5.21 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 125.124 1.369 . . . . 0.0 108.584 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_exo -43.53 -28.28 1.68 Allowed 'Trans proline' 0 N--CA 1.458 -0.579 1 C-N-CA 125.641 4.228 . . . . 0.0 116.73 -171.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 118.093 0.406 . . . . 0.0 111.362 -175.171 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.46 0 C4'-C3'-C2' 99.376 -3.324 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C4'-C3'-C2' 99.166 -3.534 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 0 C4'-C3'-C2' 99.351 -3.349 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.606 0 O4'-C1'-N19 111.46 3.26 . 0.805 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 C4'-C3'-C2' 99.092 -3.608 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . 0.442 ' C5 ' ' OE1' ' A' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.427 -2.194 0 O4'-C1'-N19 111.895 3.695 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 1 O4'-C1'-N19 112.244 4.044 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.427 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 O4'-C1'-N19 110.939 2.739 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.427 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.437 0 C5'-C4'-C3' 109.754 -3.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 111.92 3.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.815 0 O4'-C1'-N19 110.557 2.357 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O5'-C5'-C4' 113.069 2.049 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C3'-C2'-C1' 104.287 3.097 . 0.082 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 110.715 2.515 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.553 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.255 0 C5'-C4'-C3' 111.548 -2.635 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 1 C5'-C4'-C3' 108.079 -4.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.687 -3.013 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C4'-C3'-C2' 99.057 -3.643 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.746 0 C4'-C3'-C2' 99.889 -2.811 . 0.707 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.708 -2.992 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 0 C4'-C3'-C2' 99.393 -3.307 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 C4'-C3'-C2' 99.81 -2.89 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.2 tpp . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 119.529 -0.272 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.92 105.4 9.96 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.425 HG21 ' N7 ' ' B' ' 12' ' ' ' A' . 4.5 mp -82.28 147.33 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -140.9 161.06 38.71 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.9 p -120.08 144.97 47.31 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -147.79 137.03 22.31 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.409 -177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -87.52 150.21 23.87 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.44 131.38 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.86 0.33 42.14 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 119.291 -0.727 . . . . 0.0 113.242 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -112.32 -176.66 2.97 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.537 1.169 . . . . 0.0 110.495 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -140.83 169.8 16.95 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -172.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.3 mt -143.99 165.07 14.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.242 1.817 . . . . 0.0 107.469 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -136.85 153.63 50.72 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.571 0.701 . . . . 0.0 112.36 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -141.91 144.1 25.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 C-N-CA 124.312 1.045 . . . . 0.0 108.539 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.32 -140.27 40.1 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -130.25 10.73 5.36 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.483 0.713 . . . . 0.0 109.722 176.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.1 9.25 2.53 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.443 0.697 . . . . 0.0 111.902 -176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.95 146.21 34.31 Favored 'Isoleucine or valine' 0 C--N 1.34 0.176 0 CA-C-N 119.08 0.854 . . . . 0.0 110.513 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -138.41 155.66 48.29 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.047 0.939 . . . . 0.0 108.469 177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.4 mm -133.72 147.36 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.3 m -143.9 120.9 11.37 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 22' ' ' ILE . 3.0 tp -76.61 93.84 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -67.44 -29.82 69.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 122.146 -0.346 . . . . 0.0 111.317 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.98 -170.17 34.8 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.678 175.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.72 164.43 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.87 96.48 2.11 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.25 -115.8 7.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 108.368 -1.893 . . . . 0.0 108.368 -170.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -103.93 0.98 30.74 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.116 0.458 . . . . 0.0 110.15 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -78.79 160.35 27.43 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -139.98 120.15 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 175.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm180 -80.94 118.78 22.72 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 171.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -120.1 122.94 69.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.72 149.5 19.32 Favored Glycine 0 N--CA 1.448 -0.507 0 N-CA-C 108.39 -1.884 . . . . 0.0 108.39 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.6 mt -135.16 145.02 32.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -135.3 104.25 5.81 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.75 154.06 51.29 Favored Pre-proline 0 N--CA 1.449 -0.483 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.843 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.94 151.74 68.16 Favored 'Trans proline' 0 N--CA 1.45 -1.06 0 C-N-CA 122.783 2.322 . . . . 0.0 110.256 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.28 -2.81 3.32 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 175.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.94 -11.96 59.8 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.23 1.012 . . . . 0.0 110.971 173.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m -138.64 160.37 30.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 123.858 0.863 . . . . 0.0 109.556 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.66 157.07 16.95 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.946 0.403 . . . . 0.0 111.516 -175.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.25 133.16 3.75 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.111 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 173.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -157.15 167.23 30.99 Favored 'General case' 0 CA--C 1.523 -0.078 0 C-N-CA 122.722 0.409 . . . . 0.0 111.099 -177.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -69.54 160.64 31.1 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 169.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -67.04 -23.58 65.9 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 122.187 -0.32 . . . . 0.0 110.786 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.54 -3.43 58.42 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.335 0.654 . . . . 0.0 111.866 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -118.57 -33.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.339 0.145 0 C-N-CA 123.693 0.797 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -56.35 -38.85 71.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 122.001 -0.437 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -63.88 -21.05 66.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 O-C-N 122.44 -0.162 . . . . 0.0 111.017 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -87.02 -36.36 18.25 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 119.267 -0.397 . . . . 0.0 111.628 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.61 -18.54 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 118.536 0.607 . . . . 0.0 109.513 176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -99.79 3.96 45.07 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.138 0.575 . . . . 0.0 110.925 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.76 -14.4 5.67 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.21 152.42 6.01 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.76 156.03 40.08 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 117.326 0.563 . . . . 0.0 110.542 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 59.8 p -142.44 -0.8 1.21 Allowed 'General case' 0 C--O 1.232 0.147 0 C-N-CA 123.849 0.859 . . . . 0.0 110.455 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -152.23 60.59 3.59 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.933 0.893 . . . . 0.0 110.353 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 77.5 Cg_exo -51.93 169.47 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.874 3.049 . . . . 0.0 113.946 178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 123.811 0.845 . . . . 0.0 112.687 -179.107 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.704 0 C5'-C4'-C3' 111.19 -2.874 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C4'-C3'-C2' 99.149 -3.551 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.595 0 C4'-C3'-C2' 99.098 -3.602 . 0.798 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.535 -3.165 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 98.896 -3.804 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.637 0 C4'-C3'-C2' 99.182 -3.518 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.914 0 O4'-C1'-N19 111.847 3.647 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.66 0 O4'-C1'-N19 111.604 3.404 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 0 C5'-C4'-C3' 110.038 -3.641 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.787 ' C2 ' HD12 ' C' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.421 -2.651 2 O4'-C1'-N19 113.4 5.2 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 C5'-C4'-C3' 110.148 -3.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 O5'-C5'-C4' 112.773 1.838 . 0.043 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C3'-C2'-C1' 104.312 3.124 . 0.195 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.896 0 O4'-C1'-N19 110.693 2.493 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.531 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.35 0 C5'-C4'-C3' 112.063 -2.292 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.568 1 C5'-C4'-C3' 108.467 -4.688 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 C4'-C3'-C2' 99.718 -2.982 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.819 0 O4'-C1'-N19 111.307 3.107 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.852 0 C4'-C3'-C2' 99.86 -2.84 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.488 -3.212 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C4'-C3'-C2' 99.855 -2.845 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.802 0 C4'-C3'-C2' 99.907 -2.793 . 0.761 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.748 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.69 108.42 11.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 176.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -86.59 147.33 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.7 mt -140.3 159.19 42.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 173.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 46.5 p -117.89 142.22 47.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 173.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -146.7 128.61 15.41 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.353 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -79.34 149.25 31.79 Favored 'General case' 0 C--O 1.232 0.163 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 29.1 m -57.56 132.28 21.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 O-C-N 121.763 -0.586 . . . . 0.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.88 -0.4 45.09 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-O 118.969 -0.906 . . . . 0.0 112.903 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -108.85 -176.55 3.07 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.323 1.061 . . . . 0.0 110.664 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 56.3 m -139.69 167.52 21.91 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -171.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -143.64 165.7 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 126.287 1.835 . . . . 0.0 107.26 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -139.31 153.86 47.81 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.685 -0.635 . . . . 0.0 112.218 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -142.16 142.92 27.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.69 -140.68 37.22 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -130.41 12.5 5.47 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.614 0.766 . . . . 0.0 110.044 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -137.83 7.91 2.76 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.664 0.786 . . . . 0.0 111.909 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.28 146.43 34.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 CA-C-N 119.279 0.945 . . . . 0.0 110.799 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -139.84 156.58 46.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.263 1.025 . . . . 0.0 108.254 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -136.0 147.12 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 55.6 m -142.78 123.3 14.01 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -78.74 93.62 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.3 mt -67.45 -30.49 70.22 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -175.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.69 -170.07 34.62 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.407 173.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.96 162.32 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 122.558 0.343 . . . . 0.0 110.272 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.6 m -146.6 82.68 1.59 Allowed 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.72 -111.86 3.44 Favored Glycine 0 C--N 1.334 0.436 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 -171.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.23 -1.92 26.41 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.937 0.369 . . . . 0.0 110.426 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -78.58 155.52 29.62 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.5 t -142.71 118.81 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -78.5 118.94 21.12 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 170.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 12.0 mt -121.14 123.35 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.96 149.85 19.17 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.2 145.35 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -136.3 105.09 5.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.56 156.16 52.94 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 115.245 -0.888 . . . . 0.0 108.948 -178.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.17 151.73 55.4 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.864 2.376 . . . . 0.0 110.279 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.22 -5.79 5.6 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 122.219 -0.301 . . . . 0.0 110.563 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -67.72 -8.59 36.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.085 0.954 . . . . 0.0 111.213 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.65 160.33 30.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 123.234 0.614 . . . . 0.0 109.784 177.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.38 156.79 16.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 111.341 -176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.97 133.71 4.47 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -156.95 165.62 35.65 Favored 'General case' 0 C--N 1.338 0.084 0 CA-C-O 120.697 0.284 . . . . 0.0 111.696 -175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -67.15 155.58 38.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 169.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -65.31 -23.39 67.0 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.767 -0.583 . . . . 0.0 110.435 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.41 -2.85 54.36 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.305 0.642 . . . . 0.0 111.93 178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . 0.787 HD12 ' C2 ' ' B' ' 7' ' ' ' C' . 25.4 mm -119.6 -35.71 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 124.252 1.021 . . . . 0.0 110.033 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -56.98 -37.44 71.61 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.975 -0.453 . . . . 0.0 110.852 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -63.57 -22.93 67.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 122.23 -0.293 . . . . 0.0 110.834 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -87.16 -35.03 18.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.211 0.604 . . . . 0.0 111.833 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.7 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.1 mp -63.31 -18.64 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 119.011 0.823 . . . . 0.0 109.074 176.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -100.28 5.59 44.58 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.582 0.753 . . . . 0.0 111.614 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -125.55 -30.59 3.07 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.805 0.442 . . . . 0.0 112.007 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . 0.425 ' C ' HD13 ' C' ' 55' ' ' LEU . . . 148.71 153.28 5.94 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 176.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' C' ' 51' ' ' ILE . 0.0 OUTLIER -160.24 168.68 24.83 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.086 0.47 . . . . 0.0 111.359 -175.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 63.6 p -145.0 0.88 0.96 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.481 0.712 . . . . 0.0 111.65 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.447 ' N ' ' CD ' ' C' ' 58' ' ' PRO . . . -65.1 -37.08 18.22 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.47 178.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' C' ' 57' ' ' ALA . 51.2 Cg_exo -57.93 -179.26 0.12 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.524 2.816 . . . . 0.0 113.188 171.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 CA--C 1.532 0.276 0 C-N-CA 122.972 0.509 . . . . 0.0 110.773 175.732 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C5'-C4'-C3' 111.563 -2.625 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 C4'-C3'-C2' 99.404 -3.296 . 0.834 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.583 0 C4'-C3'-C2' 99.238 -3.462 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.796 0 C4'-C3'-C2' 99.511 -3.189 . 0.796 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 C4'-C3'-C2' 98.943 -3.757 . 0.584 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.473 0 O4'-C1'-N19 112.019 3.819 . 0.589 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.699 0 C4'-C3'-C2' 99.374 -3.326 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.443 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.201 3.001 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.443 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.458 0 C5'-C4'-C3' 109.752 -3.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 O4'-C1'-N19 111.904 3.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 O4'-C1'-N19 110.681 2.481 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 P-O3'-C3' 122.007 1.922 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 C3'-C2'-C1' 104.445 3.273 . 0.088 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 110.883 2.683 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.544 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 111.816 -2.456 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.509 1 C5'-C4'-C3' 108.632 -4.578 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 0 C4'-C3'-C2' 99.762 -2.938 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 0 C4'-C3'-C2' 99.322 -3.378 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.8 0 C4'-C3'-C2' 99.866 -2.834 . 0.698 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C4'-C3'-C2' 99.792 -2.908 . 0.792 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 O4'-C1'-N19 111.206 3.006 . 0.762 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.827 0 C4'-C3'-C2' 100.053 -2.647 . 0.774 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.8 tpp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 119.85 -0.119 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 104.29 9.45 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -79.86 147.33 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.462 0.705 . . . . 0.0 109.112 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -141.34 155.84 45.9 Favored 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.6 p -115.61 141.06 48.57 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -146.05 128.16 15.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -78.87 149.8 32.37 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 174.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 m -56.59 138.11 17.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.076 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.2 -3.85 58.42 Favored Glycine 0 CA--C 1.53 0.988 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.812 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -104.3 -175.53 2.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.518 1.159 . . . . 0.0 110.353 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.4 m -140.54 167.77 21.37 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 -172.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.8 mt -144.16 165.38 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 125.97 1.708 . . . . 0.0 107.533 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -137.9 154.0 49.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.655 -0.653 . . . . 0.0 112.227 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.3 mt -142.31 144.7 24.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.18 -139.25 41.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.38 -1.088 . . . . 0.0 110.38 -177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -130.35 10.69 5.31 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.662 0.785 . . . . 0.0 109.438 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -139.63 8.39 2.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.42 0.688 . . . . 0.0 111.997 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.26 145.74 35.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 119.081 0.855 . . . . 0.0 110.514 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -137.73 154.98 49.56 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -135.43 148.54 28.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -176.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.8 m -143.63 124.83 14.54 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -79.26 93.37 1.68 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.07 -32.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.884 -176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.37 -172.42 35.36 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.294 173.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -134.63 161.9 39.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 C-N-CA 122.83 0.452 . . . . 0.0 110.448 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.4 m -150.08 105.5 3.39 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 107.837 -1.171 . . . . 0.0 107.837 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.31 -96.47 0.34 Allowed Glycine 0 CA--C 1.52 0.398 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 -173.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -126.32 2.7 7.04 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 123.409 0.684 . . . . 0.0 110.506 174.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -73.93 160.44 31.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -141.36 124.74 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 28.5 mtm180 -90.06 125.06 35.28 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 169.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -127.57 127.96 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.3 148.68 18.79 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 108.598 -1.801 . . . . 0.0 108.598 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -134.65 144.86 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -135.75 103.99 5.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.14 155.37 54.81 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.169 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.64 152.51 59.33 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.676 2.251 . . . . 0.0 110.007 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -65.85 -3.55 5.26 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 120.471 0.177 . . . . 0.0 110.534 176.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -69.55 -8.25 45.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.938 0.895 . . . . 0.0 111.27 172.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.1 160.67 29.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 C-N-CA 123.157 0.583 . . . . 0.0 109.505 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.96 156.05 17.61 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 111.721 -175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.86 133.23 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 173.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -157.34 168.03 28.55 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-O 121.559 0.695 . . . . 0.0 112.803 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -66.86 149.89 49.95 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 167.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -58.63 -34.55 71.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 121.584 -0.698 . . . . 0.0 111.824 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -76.2 -12.12 60.04 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.0 mm -102.3 -34.62 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 C-N-CA 123.296 0.639 . . . . 0.0 109.611 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.32 -43.73 75.2 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 118.003 0.365 . . . . 0.0 110.76 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -63.85 -20.66 65.98 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 111.41 0.152 . . . . 0.0 111.41 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HD2' ' C5 ' ' D' ' 7' ' ' ' C' . 40.4 ttm180 -81.7 -37.64 27.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 119.408 -0.329 . . . . 0.0 110.971 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.07 -18.82 20.49 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -98.69 3.61 47.75 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.264 0.626 . . . . 0.0 111.472 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.99 -10.49 5.4 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -175.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.48 154.83 6.3 Favored Glycine 0 C--N 1.337 0.597 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' HA ' ' H42' ' D' ' 7' ' ' ' C' . 2.8 mm? -123.51 141.83 51.61 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.856 0.828 . . . . 0.0 111.011 -171.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.6 p -142.83 1.9 1.33 Allowed 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.982 1.313 . . . . 0.0 109.626 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.21 76.33 7.09 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 125.005 1.322 . . . . 0.0 107.807 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -50.35 179.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 1 C-N-CA 125.72 4.28 . . . . 0.0 115.284 -176.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.577 1.151 . . . . 0.0 113.189 -177.635 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 C4'-C3'-C2' 100.122 -2.578 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.445 -3.255 . 0.833 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.656 -3.044 . 0.789 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.721 0 C4'-C3'-C2' 99.605 -3.095 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.411 0 C4'-C3'-C2' 99.031 -3.669 . 0.609 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.459 0 O4'-C1'-N19 111.919 3.719 . 0.54 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.666 0 O4'-C1'-N19 111.856 3.656 . 0.354 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.437 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.751 0 C3'-C2'-C1' 104.044 2.826 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.437 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.511 0 C5'-C4'-C3' 109.926 -3.716 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.488 ' H42' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O4'-C1'-N19 111.948 3.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 O4'-C1'-N19 112.096 3.896 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 0 P-O3'-C3' 121.688 1.656 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 C3'-C2'-C1' 104.048 2.831 . 0.085 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 O4'-C1'-N19 111.035 2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.47 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.551 0 C5'-C4'-C3' 112.36 -2.093 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.752 1 C5'-C4'-C3' 108.276 -4.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.873 0 C4'-C3'-C2' 99.442 -3.258 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C4'-C3'-C2' 99.095 -3.605 . 0.729 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.913 0 C4'-C3'-C2' 99.982 -2.718 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.885 0 C4'-C3'-C2' 99.788 -2.912 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.656 0 C4'-C3'-C2' 99.38 -3.32 . 0.793 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C4'-C3'-C2' 100.085 -2.615 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.732 -0.175 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.23 110.6 12.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.65 146.72 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.186 0.594 . . . . 0.0 109.598 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt -140.46 158.86 43.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 172.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 13.6 p -122.65 143.61 49.66 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.891 0.377 . . . . 0.0 110.018 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -155.77 161.83 40.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.881 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -99.82 164.56 11.97 Favored 'General case' 0 C--N 1.334 -0.065 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.92 140.22 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 118.745 -1.182 . . . . 0.0 109.732 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.15 -7.19 64.26 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 123.747 0.689 . . . . 0.0 112.718 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -86.01 -170.64 3.19 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 118.132 0.966 . . . . 0.0 112.798 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -150.43 157.75 43.39 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.928 0.891 . . . . 0.0 111.115 -169.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mm -144.91 165.24 12.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.731 1.612 . . . . 0.0 107.849 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.66 151.89 51.84 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.681 0.673 . . . . 0.0 111.818 -177.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.9 mt -144.62 141.64 23.68 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.02 -138.92 44.33 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -130.57 10.34 5.17 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 176.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -140.8 8.82 2.15 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.324 0.65 . . . . 0.0 111.849 -174.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.71 144.57 36.98 Favored 'Isoleucine or valine' 0 C--N 1.343 0.309 0 CA-C-N 118.784 0.72 . . . . 0.0 110.399 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -141.09 155.76 46.09 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -131.05 149.32 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -174.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.8 m -134.74 147.49 50.05 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.7 tp -111.41 90.93 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.25 -29.03 70.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.5 -169.4 33.36 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.522 -0.847 . . . . 0.0 113.394 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -131.99 162.85 38.88 Favored 'Isoleucine or valine' 0 N--CA 1.459 0.022 0 C-N-CA 122.673 0.389 . . . . 0.0 109.977 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -151.3 106.69 3.34 Favored 'General case' 0 CA--C 1.522 -0.123 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.29 -97.66 0.34 Allowed Glycine 0 C--N 1.333 0.373 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -173.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -125.35 0.31 7.68 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 174.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -73.21 160.06 32.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -140.45 116.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 176.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -79.2 111.73 15.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 172.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -115.25 121.52 67.33 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.92 149.52 19.38 Favored Glycine 0 C--N 1.333 0.373 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.9 mt -134.52 145.14 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -134.22 102.0 5.22 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -176.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.51 155.28 49.38 Favored Pre-proline 0 N--CA 1.451 -0.409 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.49 151.8 53.64 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 123.062 2.508 . . . . 0.0 110.425 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -64.89 -5.31 5.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 122.218 -0.301 . . . . 0.0 110.608 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -67.4 -8.9 36.57 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.239 1.016 . . . . 0.0 111.429 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m -139.11 160.52 29.21 Favored 'Isoleucine or valine' 0 C--N 1.34 0.188 0 C-N-CA 123.641 0.776 . . . . 0.0 109.388 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -100.09 156.87 16.95 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.678 0.275 . . . . 0.0 111.541 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.19 132.93 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -157.25 167.83 29.19 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.75 0.31 . . . . 0.0 111.025 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -70.87 160.21 33.22 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 169.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -66.06 -23.58 66.56 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 121.995 -0.441 . . . . 0.0 110.437 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -84.11 -2.89 57.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.415 0.686 . . . . 0.0 111.908 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.3 mm -119.31 -34.16 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 124.063 0.945 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -56.59 -38.6 72.24 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.921 0.328 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -64.06 -20.88 66.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 122.48 -0.137 . . . . 0.0 110.857 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -86.99 -37.39 17.56 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 119.174 -0.441 . . . . 0.0 111.61 -177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -61.25 -18.62 18.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.875 0.761 . . . . 0.0 109.408 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -100.16 3.85 44.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.603 0.761 . . . . 0.0 111.389 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -128.64 -13.04 4.83 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.38 152.67 6.1 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.488 ' HA ' ' H42' ' B' ' 7' ' ' ' C' . 2.9 mm? -123.87 143.99 50.02 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 117.571 0.685 . . . . 0.0 111.238 -171.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -144.04 2.16 1.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 109.3 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -152.76 72.47 7.29 Favored Pre-proline 0 CA--C 1.533 0.29 0 C-N-CA 124.682 1.193 . . . . 0.0 108.587 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.12 179.59 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.61 1 C-N-CA 125.584 4.189 . . . . 0.0 114.505 -178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 CA--C 1.534 0.33 0 C-N-CA 124.312 1.045 . . . . 0.0 112.908 179.489 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 99.468 -3.232 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.611 0 C4'-C3'-C2' 99.188 -3.512 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.614 0 C4'-C3'-C2' 99.364 -3.336 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.601 0 C4'-C3'-C2' 99.389 -3.311 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.207 -3.493 . 0.697 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.692 0 C4'-C3'-C2' 99.073 -3.627 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.83 0 C4'-C3'-C2' 99.746 -2.954 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.49 ' C4 ' H5'' ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 111.829 3.629 OUTLIER-DELTA 0.173 1t . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.404 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.732 1 C5'-C4'-C3' 108.843 -4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.548 ' H42' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.628 0 C5'-C4'-C3' 110.112 -3.592 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.82 0 O4'-C1'-N19 110.546 2.346 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 0 O5'-C5'-C4' 113.146 2.104 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.017 0 C3'-C2'-C1' 104.608 3.453 . 0.205 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.967 0 O4'-C1'-N19 111.582 3.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.576 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 C5'-C4'-C3' 112.122 -2.252 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 1 C5'-C4'-C3' 108.433 -4.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.676 0 C4'-C3'-C2' 99.825 -2.875 . 0.08 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.655 0 C4'-C3'-C2' 99.009 -3.691 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.658 0 C4'-C3'-C2' 99.963 -2.737 . 0.705 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C4'-C3'-C2' 99.74 -2.96 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 C4'-C3'-C2' 99.714 -2.986 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.807 0 O4'-C1'-N19 110.791 2.591 . 0.749 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.8 tpp . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.01 108.89 11.82 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 174.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.81 144.65 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.01 134.57 26.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 172.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.7 p -92.01 147.05 23.25 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 1.9 tpm_? -150.31 141.67 23.31 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HE2' ' HB2' ' C' ' 28' ' ' GLN . 8.9 tptm -90.82 151.56 21.12 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 m -57.4 135.4 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.46 56.72 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.22 -0.767 . . . . 0.0 112.851 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -114.89 -175.72 2.75 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.41 1.105 . . . . 0.0 110.74 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -141.38 170.61 15.41 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.9 mt -144.36 165.45 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 126.346 1.859 . . . . 0.0 107.458 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -137.57 153.42 49.95 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.507 -0.745 . . . . 0.0 112.069 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.8 mt -142.97 142.62 25.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 53.95 -141.14 33.56 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.474 -1.05 . . . . 0.0 110.474 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.95 11.36 5.58 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.308 0.643 . . . . 0.0 110.301 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -137.55 7.56 2.8 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.768 0.827 . . . . 0.0 111.615 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.52 147.7 33.14 Favored 'Isoleucine or valine' 0 C--N 1.339 0.109 0 CA-C-N 119.277 0.944 . . . . 0.0 110.274 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.2 m -139.83 154.46 47.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.0 mm -134.23 149.14 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m -140.41 149.18 42.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -111.18 89.26 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 mt -65.13 -32.19 73.77 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.298 -173.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.4 -170.45 36.41 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.631 175.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.18 164.74 34.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 C-N-CA 123.075 0.55 . . . . 0.0 109.752 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.4 t -152.75 86.97 1.27 Allowed 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.56 -116.92 5.32 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 107.501 -2.24 . . . . 0.0 107.501 -170.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -101.57 0.16 35.94 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -75.78 160.19 30.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.153 0.501 . . . . 0.0 110.449 172.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -142.37 120.5 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 176.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 27.3 mtm180 -83.74 121.18 26.95 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 169.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -123.19 142.55 39.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -178.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.87 151.29 18.04 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 109.252 -1.539 . . . . 0.0 109.252 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.6 mt -136.06 145.11 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -136.62 103.73 5.32 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.14 155.57 58.3 Favored Pre-proline 0 N--CA 1.451 -0.379 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.171 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.0 152.12 62.64 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 123.002 2.468 . . . . 0.0 110.346 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmp? -65.41 -3.55 4.43 Favored 'General case' 0 CA--C 1.528 0.102 0 O-C-N 122.374 -0.204 . . . . 0.0 110.655 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -66.96 -11.2 55.92 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.193 0.997 . . . . 0.0 110.818 172.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.21 160.7 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.895 0.878 . . . . 0.0 109.594 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.24 157.24 17.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 120.977 0.418 . . . . 0.0 111.479 -176.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.17 132.82 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -157.1 163.15 39.28 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 120.641 0.258 . . . . 0.0 111.635 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -64.47 161.76 16.57 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 169.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -66.4 -30.22 70.54 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -78.71 -9.01 59.26 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.2 mm -112.13 -32.64 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 C-N-CA 123.686 0.794 . . . . 0.0 110.101 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.08 -37.15 71.45 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 117.777 0.262 . . . . 0.0 111.193 -178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.62 -20.88 66.53 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 117.085 -0.052 . . . . 0.0 110.984 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -87.26 -37.13 17.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.567 0.347 . . . . 0.0 111.334 -176.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 55' ' ' LEU . 2.8 mp -64.83 -17.22 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 176.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -101.63 5.08 41.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.694 0.797 . . . . 0.0 111.395 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.26 -23.97 4.76 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.518 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 137.68 151.82 5.96 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 178.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -154.03 -30.54 0.12 Allowed 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -175.197 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 42.8 p 42.74 17.24 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' N ' ' CD ' ' A' ' 58' ' ' PRO . . . -70.12 -29.05 1.52 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 115.436 1.643 . . . . 0.0 115.436 -175.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 57' ' ' ALA . 88.5 Cg_exo -49.88 167.93 0.18 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.637 2.891 . . . . 0.0 114.554 176.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 CA--C 1.53 0.208 0 C-N-CA 123.87 0.868 . . . . 0.0 112.249 -178.807 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C4'-C3'-C2' 100.072 -2.628 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.406 0 C4'-C3'-C2' 99.385 -3.315 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.636 -3.064 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 C4'-C3'-C2' 99.472 -3.228 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 98.906 -3.794 . 0.646 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 O4'-C1'-N19 111.969 3.769 . 0.595 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.622 0 C4'-C3'-C2' 98.849 -3.851 . 0.3 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.465 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.723 3.523 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.465 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.48 1 C5'-C4'-C3' 108.187 -4.876 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.552 ' H42' ' HA ' ' C' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.424 -2.379 0 C5'-C4'-C3' 110.971 -3.019 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.915 -2.39 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 P-O3'-C3' 122.029 1.941 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.328 0 C5'-C4'-C3' 111.47 -2.687 . 0.191 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.771 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 N19-C1'-C2' 110.046 -2.096 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.817 2 C5'-C4'-C3' 108.12 -4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C4'-C3'-C2' 99.829 -2.871 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.739 0 C4'-C3'-C2' 99.249 -3.451 . 0.825 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.586 0 C4'-C3'-C2' 99.794 -2.906 . 0.72 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.594 0 C4'-C3'-C2' 99.747 -2.953 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.834 0 C4'-C3'-C2' 99.363 -3.337 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.662 0 C4'-C3'-C2' 99.874 -2.826 . 0.788 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 49.5 tpp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.84 107.96 10.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 174.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -83.51 143.62 11.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -142.83 134.4 26.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -97.8 147.19 24.65 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.505 ' HE ' ' CG2' ' C' ' 22' ' ' ILE . 8.1 ptt180 -152.1 -178.0 6.51 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.771 173.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.83 153.14 46.95 Favored 'General case' 0 CA--C 1.521 -0.165 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 -173.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.9 m -56.76 124.18 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 119.906 -0.718 . . . . 0.0 109.997 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.8 3.45 30.23 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.475 -0.625 . . . . 0.0 112.677 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -110.86 -176.54 2.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.245 1.022 . . . . 0.0 111.628 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -149.03 167.59 25.42 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 122.971 0.508 . . . . 0.0 112.332 -174.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.467 HD12 HH11 ' C' ' 6' ' ' ARG . 10.8 mt -145.61 164.47 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 125.725 1.61 . . . . 0.0 107.855 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -130.7 153.53 48.89 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.386 0.612 . . . . 0.0 111.736 -175.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -142.99 139.6 27.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.19 -140.53 35.63 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -130.08 11.88 5.57 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.323 0.649 . . . . 0.0 110.462 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -137.32 7.98 2.88 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.647 0.779 . . . . 0.0 112.306 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.96 143.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.343 0.285 0 CA-C-N 119.047 0.84 . . . . 0.0 110.577 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -139.84 154.36 47.3 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.43 149.26 32.08 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -176.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 32.7 m -140.41 153.15 46.22 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 122.871 0.468 . . . . 0.0 110.123 -178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 3.3 tp -112.4 97.76 6.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.92 -30.14 65.04 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.449 -176.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.53 -169.83 35.05 Favored Glycine 0 C--N 1.342 0.881 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.08 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.77 165.75 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 C-N-CA 123.036 0.534 . . . . 0.0 110.26 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -152.96 101.45 2.59 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 176.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.91 -111.69 4.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 -170.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.402 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 2.0 mp0 -107.97 0.24 21.76 Favored 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 122.749 0.419 . . . . 0.0 111.183 178.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -79.45 157.44 27.52 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 173.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.9 t -143.07 118.92 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 49.6 mtt85 -78.91 114.67 18.04 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.4 mt -114.44 141.06 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.57 150.48 18.06 Favored Glycine 0 N--CA 1.451 -0.331 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -136.32 145.45 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -135.62 103.53 5.47 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.62 155.62 52.85 Favored Pre-proline 0 N--CA 1.45 -0.458 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.366 -178.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.11 151.1 61.04 Favored 'Trans proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.367 2.711 . . . . 0.0 110.25 177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -64.51 -3.83 3.44 Favored 'General case' 0 CA--C 1.528 0.115 0 O-C-N 122.305 -0.247 . . . . 0.0 110.417 176.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.21 -11.36 57.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.957 0.903 . . . . 0.0 111.126 173.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.97 160.37 33.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 C-N-CA 123.679 0.791 . . . . 0.0 109.663 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.31 156.59 16.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.731 0.301 . . . . 0.0 111.339 -175.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 131.81 2.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.075 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 173.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -157.1 164.11 38.24 Favored 'General case' 0 CA--C 1.522 -0.107 0 C-N-CA 122.816 0.446 . . . . 0.0 110.762 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.75 163.25 27.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -64.64 -24.74 67.68 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -172.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -86.69 -3.76 59.08 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.919 0.781 . . . . 0.0 112.166 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.6 mm -112.31 -33.65 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 C-N-CA 123.141 0.576 . . . . 0.0 109.896 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -55.89 -39.54 71.71 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 118.0 0.364 . . . . 0.0 110.962 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.43 -20.69 65.78 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.886 0.116 . . . . 0.0 110.948 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -86.76 -35.77 18.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-O 119.008 -0.52 . . . . 0.0 111.734 -176.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp -62.17 -18.67 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.67 0.668 . . . . 0.0 109.268 177.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -99.42 5.42 46.3 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.503 0.721 . . . . 0.0 111.22 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -131.8 -13.24 3.28 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -176.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.33 152.09 6.07 Favored Glycine 0 C--N 1.336 0.577 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.552 ' HA ' ' H42' ' B' ' 7' ' ' ' C' . 2.8 mm? -124.17 145.64 49.19 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 117.691 0.746 . . . . 0.0 110.983 -171.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 53.9 p -144.06 -0.53 1.01 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.458 1.103 . . . . 0.0 110.214 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.465 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -150.93 55.9 1.87 Allowed Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 124.028 0.931 . . . . 0.0 110.384 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 75.2 Cg_exo -47.54 -32.62 16.1 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 124.122 3.215 . . . . 0.0 115.518 -176.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -173.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.478 0 C4'-C3'-C2' 99.928 -2.772 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.811 0 C4'-C3'-C2' 99.364 -3.336 . 0.836 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.781 0 C4'-C3'-C2' 99.364 -3.336 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.838 0 C4'-C3'-C2' 99.444 -3.256 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 98.97 -3.73 . 0.661 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 111.893 3.693 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C4'-C3'-C2' 99.358 -3.342 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 1 O4'-C1'-N19 112.298 4.098 . 0.035 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C4'-C3'-C2' 99.239 -3.461 . 0.041 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C5'-C4'-C3' 110.046 -3.636 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 110.9 2.7 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.959 0 P-O3'-C3' 121.874 1.811 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 C3'-C2'-C1' 104.368 3.187 . 0.145 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 110.757 2.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.515 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.403 0 C5'-C4'-C3' 112.205 -2.197 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 1 C5'-C4'-C3' 108.206 -4.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.9 0 C4'-C3'-C2' 99.728 -2.972 . 0.893 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.744 0 C4'-C3'-C2' 99.195 -3.505 . 0.78 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.434 0 C4'-C3'-C2' 99.743 -2.957 . 0.725 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.535 0 C4'-C3'-C2' 99.654 -3.046 . 0.773 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.734 0 C4'-C3'-C2' 99.436 -3.264 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.813 0 C4'-C3'-C2' 100.03 -2.67 . 0.768 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 tpp . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.23 111.29 15.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.05 147.22 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 C-N-CA 123.079 0.552 . . . . 0.0 109.575 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.75 158.42 43.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 173.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -122.27 138.54 54.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.417 HH21 ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -153.96 144.18 22.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.466 178.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -82.74 159.93 22.44 Favored 'General case' 0 C--O 1.231 0.083 0 C-N-CA 124.268 1.027 . . . . 0.0 108.961 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -59.37 145.81 10.56 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 119.35 -0.94 . . . . 0.0 109.568 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.48 -2.22 86.23 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.901 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -97.08 -171.93 2.33 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.636 1.218 . . . . 0.0 112.128 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.417 ' HA ' HH21 ' A' ' 6' ' ' ARG . 69.5 m -142.35 158.3 43.86 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.48 0.712 . . . . 0.0 111.256 -169.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.8 mm -146.7 165.2 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 125.6 1.56 . . . . 0.0 107.203 -178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -139.75 153.4 47.17 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.975 0.807 . . . . 0.0 112.51 -175.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.2 mt -144.47 146.36 20.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.617 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.12 -142.39 39.03 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -128.43 10.56 6.22 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.595 0.758 . . . . 0.0 109.525 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.72 10.19 1.8 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.59 0.756 . . . . 0.0 111.782 -176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -129.83 145.39 35.75 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-N 119.093 0.86 . . . . 0.0 110.883 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.2 m -137.35 154.23 50.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 176.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -132.73 148.24 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.9 m -135.79 154.79 51.1 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -118.19 96.17 4.24 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.61 -29.35 69.37 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.509 -177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.85 -170.99 33.16 Favored Glycine 0 C--N 1.342 0.907 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.216 173.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.13 162.28 40.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.113 0 C-N-CA 122.661 0.384 . . . . 0.0 110.412 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -150.78 105.47 3.28 Favored 'General case' 0 CA--C 1.522 -0.11 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.36 -97.08 0.36 Allowed Glycine 0 C--N 1.337 0.595 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 -173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -126.37 -0.71 6.96 Favored 'General case' 0 N--CA 1.458 -0.055 0 C-N-CA 123.179 0.592 . . . . 0.0 110.864 174.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.4 ' HG3' ' HE3' ' C' ' 7' ' ' LYS . 27.6 mt-30 -72.9 154.38 40.6 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 172.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.47 114.16 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -77.93 101.98 7.1 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 171.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -99.31 146.44 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.37 150.2 16.87 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 108.823 -1.711 . . . . 0.0 108.823 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' C' ' 1' ' ' MET . 68.2 mt -135.13 144.89 33.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -135.29 102.0 5.02 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.58 153.96 55.63 Favored Pre-proline 0 N--CA 1.452 -0.36 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.118 -178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -70.7 152.09 64.17 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 122.995 2.464 . . . . 0.0 110.421 177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -65.54 -3.11 4.03 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 122.332 -0.23 . . . . 0.0 110.416 175.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.59 -11.87 59.12 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.155 0.982 . . . . 0.0 110.732 172.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.94 161.21 32.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.094 0.958 . . . . 0.0 109.317 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.84 157.53 17.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.859 0.362 . . . . 0.0 111.324 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.13 136.26 7.47 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -157.91 164.43 36.89 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.986 0.515 . . . . 0.0 110.457 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.444 HH12 ' N2 ' ' D' ' 5' ' ' ' G' . 25.3 ptt180 -74.44 163.23 28.02 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 169.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -66.09 -23.82 66.59 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -171.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -88.37 0.1 56.57 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.333 0.515 . . . . 0.0 111.839 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -118.29 -33.85 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 123.712 0.805 . . . . 0.0 109.458 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -54.17 -46.72 72.4 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 122.217 -0.302 . . . . 0.0 110.72 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -61.34 -24.24 66.31 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.01 0.524 . . . . 0.0 111.464 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -74.99 -43.13 55.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.555 ' HA ' HD11 ' A' ' 55' ' ' LEU . 3.1 mp -65.06 -20.63 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 177.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -85.8 -8.33 58.18 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.385 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.79 -15.35 32.56 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.2 0.6 . . . . 0.0 109.434 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' C ' HD13 ' A' ' 55' ' ' LEU . . . 81.17 138.61 2.38 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.22 1.39 . . . . 0.0 112.42 176.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.65 HD23 ' H ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -176.7 -169.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.201 1.0 . . . . 0.0 109.582 -176.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 m -142.36 52.38 1.45 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.65 ' H ' HD23 ' A' ' 55' ' ' LEU . . . 37.68 62.48 3.77 Favored Pre-proline 0 C--N 1.342 0.254 0 C-N-CA 124.253 1.021 . . . . 0.0 109.504 -169.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.78 161.87 0.8 Allowed 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 124.449 3.432 . . . . 0.0 116.104 -167.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.782 -178.678 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.575 0 C5'-C4'-C3' 111.58 -2.613 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.778 0 C4'-C3'-C2' 99.296 -3.404 . 0.839 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.766 0 C4'-C3'-C2' 99.6 -3.1 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.923 0 C4'-C3'-C2' 99.543 -3.157 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.782 0 C4'-C3'-C2' 98.839 -3.861 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.607 0 O4'-C1'-N19 111.69 3.49 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 C4'-C3'-C2' 99.277 -3.423 . 0.455 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.416 " H3'" ' N3 ' ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 O4'-C1'-N19 111.831 3.631 . 0.102 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 C4'-C3'-C2' 99.073 -3.627 . 0.115 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 O4'-C1'-N19 111.355 3.155 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.85 0 C3'-C2'-C1' 103.495 2.217 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.837 0 O5'-C5'-C4' 113.111 2.079 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.958 0 C3'-C2'-C1' 104.527 3.364 . 0.179 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.963 0 O4'-C1'-N19 111.469 3.269 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.573 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 C5'-C4'-C3' 111.848 -2.434 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 1 C5'-C4'-C3' 108.375 -4.75 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.707 0 C4'-C3'-C2' 99.592 -3.108 . 0.237 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 C4'-C3'-C2' 99.053 -3.647 . 0.738 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 C4'-C3'-C2' 100.003 -2.697 . 0.713 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.817 -2.883 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.71 0 C4'-C3'-C2' 99.62 -3.08 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 C4'-C3'-C2' 99.945 -2.755 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 45.6 tpp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 119.754 -0.165 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.69 110.89 14.3 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 174.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.28 145.48 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.322 0.649 . . . . 0.0 109.628 -178.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.96 134.62 26.55 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 172.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.5 p -93.82 145.66 24.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.596 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 1.3 tpm_? -149.16 131.15 15.27 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.426 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.4 ' HE3' ' HG3' ' A' ' 29' ' ' GLN . 3.4 tptm -80.98 147.69 30.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 173.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -55.56 138.39 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.151 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.67 -9.39 55.46 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 119.405 -0.664 . . . . 0.0 113.062 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -101.3 -174.46 2.61 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.369 1.085 . . . . 0.0 111.151 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 48.1 m -140.44 169.67 17.24 Favored 'General case' 0 C--N 1.341 0.206 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -172.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -145.94 165.44 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 126.52 1.928 . . . . 0.0 107.64 -178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -138.63 153.66 48.62 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 121.509 -0.745 . . . . 0.0 112.084 -177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -143.21 144.78 23.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.5 -139.84 44.16 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -129.98 10.26 5.43 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.564 0.745 . . . . 0.0 109.373 178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -141.87 8.92 1.92 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.742 0.817 . . . . 0.0 111.995 -175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.7 147.01 33.13 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 CA-C-N 119.132 0.878 . . . . 0.0 111.098 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 49.1 m -138.78 155.22 48.36 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 124.368 1.067 . . . . 0.0 108.226 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -135.88 147.06 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -175.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.7 m -142.72 119.63 11.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -76.51 91.19 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -64.87 -31.19 72.3 Favored 'General case' 0 C--N 1.335 -0.045 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.053 -176.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.42 -170.29 33.96 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 121.27 -0.491 . . . . 0.0 112.866 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 m -132.06 165.2 32.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.177 0 C-N-CA 122.604 0.361 . . . . 0.0 110.475 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -153.21 105.06 2.85 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.26 -96.66 0.41 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -126.1 1.17 7.2 Favored 'General case' 0 C--O 1.231 0.096 0 C-N-CA 123.498 0.719 . . . . 0.0 110.587 173.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -72.62 160.61 31.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -137.95 120.61 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.416 ' HD3' ' H62' ' B' ' 12' ' ' ' A' . 29.2 mtm180 -83.77 120.77 26.44 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 170.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mt -123.9 122.95 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.77 147.2 18.51 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 108.104 -1.998 . . . . 0.0 108.104 175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.14 144.33 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -135.56 105.1 6.06 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.98 156.33 51.25 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.098 -177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.34 152.83 55.72 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.064 2.51 . . . . 0.0 110.007 176.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.37 -5.08 6.53 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 122.025 -0.422 . . . . 0.0 110.407 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -68.14 -8.02 34.88 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.721 0.809 . . . . 0.0 110.893 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.12 160.66 29.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 C-N-CA 123.601 0.761 . . . . 0.0 109.615 177.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.1 157.61 16.64 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.798 0.332 . . . . 0.0 111.694 -176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -153.58 130.02 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 173.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -157.56 171.26 20.67 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 112.001 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 -72.94 162.33 29.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 169.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -62.21 -34.26 76.13 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.027 -0.421 . . . . 0.0 110.773 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -78.83 -9.75 59.57 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.0 mm -106.58 -32.49 2.63 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.142 0 C-N-CA 123.395 0.678 . . . . 0.0 109.659 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -56.57 -41.9 77.7 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.213 -0.305 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -63.35 -21.18 66.11 Favored 'General case' 0 N--CA 1.457 -0.113 0 O-C-N 122.349 -0.22 . . . . 0.0 111.323 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -84.39 -36.12 22.67 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.332 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp -62.26 -18.59 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -98.92 3.81 47.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.315 0.646 . . . . 0.0 111.25 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.49 -13.47 4.31 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -176.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.89 150.55 5.71 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -126.74 160.14 31.69 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.427 -0.454 . . . . 0.0 111.225 -172.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -142.56 -0.02 1.25 Allowed 'General case' 0 C--O 1.232 0.167 0 C-N-CA 123.991 0.916 . . . . 0.0 110.778 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.451 ' N ' ' HD3' ' C' ' 58' ' ' PRO . . . -152.27 59.92 3.25 Favored Pre-proline 0 CA--C 1.533 0.315 0 C-N-CA 123.254 0.621 . . . . 0.0 110.554 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' C' ' 57' ' ' ALA . 56.5 Cg_exo -53.58 173.47 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.871 3.047 . . . . 0.0 113.801 178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 CA--C 1.533 0.302 0 C-N-CA 123.44 0.696 . . . . 0.0 112.361 -179.73 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.742 0 C5'-C4'-C3' 111.302 -2.798 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C4'-C3'-C2' 99.224 -3.476 . 0.821 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 C4'-C3'-C2' 99.615 -3.085 . 0.794 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.712 0 C4'-C3'-C2' 99.339 -3.361 . 0.815 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.791 0 C4'-C3'-C2' 99.093 -3.607 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.382 0 O4'-C1'-N19 111.667 3.467 . 0.62 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.643 0 O4'-C1'-N19 111.726 3.526 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.446 " H2'" ' C8 ' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 112.151 3.951 . 0.088 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.446 ' C8 ' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 C4'-C3'-C2' 99.718 -2.982 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.472 ' H42' ' HG ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C5'-C4'-C3' 109.888 -3.741 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.842 0 C3'-C2'-C1' 103.806 2.563 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O5'-C5'-C4' 112.924 1.946 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C3'-C2'-C1' 104.27 3.077 . 0.113 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 110.652 2.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.55 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.544 0 C5'-C4'-C3' 111.849 -2.434 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.67 1 C5'-C4'-C3' 108.266 -4.823 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 C4'-C3'-C2' 99.799 -2.901 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.593 0 C4'-C3'-C2' 99.394 -3.306 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.812 0 C4'-C3'-C2' 100.033 -2.667 . 0.712 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.634 0 C4'-C3'-C2' 99.601 -3.099 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 C4'-C3'-C2' 99.753 -2.947 . 0.803 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.728 0 C4'-C3'-C2' 99.96 -2.74 . 0.778 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 tpp . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 110.642 -0.133 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.36 108.79 11.15 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 106.854 -1.535 . . . . 0.0 106.854 176.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -87.75 146.44 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.144 0.578 . . . . 0.0 109.446 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.2 mt -141.93 158.97 43.15 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.583 -1.265 . . . . 0.0 107.583 174.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.8 p -120.89 141.61 50.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 3.3 mmp_? -144.69 134.4 23.54 Favored 'General case' 0 C--N 1.338 0.081 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -76.62 154.08 34.69 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 172.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 m -59.58 131.96 24.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 C-N-CA 118.617 -1.233 . . . . 0.0 110.118 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.64 -16.03 37.56 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 123.583 0.611 . . . . 0.0 112.419 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -84.76 -178.7 6.93 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.027 0.913 . . . . 0.0 111.235 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -143.26 167.42 22.17 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.451 0.643 . . . . 0.0 112.507 -174.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' C' ' 44' ' ' ARG . 29.2 mm -142.98 165.2 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 126.364 1.865 . . . . 0.0 107.627 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.11 153.97 46.87 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.628 -0.67 . . . . 0.0 112.297 -177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -143.37 142.96 25.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 C-N-CA 124.07 0.948 . . . . 0.0 108.701 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.04 -140.74 41.41 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.234 -1.146 . . . . 0.0 110.234 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -130.38 10.8 5.31 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.279 0.632 . . . . 0.0 109.858 176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -138.99 8.29 2.5 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.736 0.815 . . . . 0.0 112.024 -177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.63 146.24 34.32 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 CA-C-N 118.782 0.719 . . . . 0.0 110.605 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.0 m -138.15 155.11 49.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.339 1.055 . . . . 0.0 108.233 177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.9 mm -136.3 148.5 27.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.1 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 58.6 m -144.01 129.8 19.31 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -82.48 93.04 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.96 -30.62 71.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.07 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.25 -169.18 33.72 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.811 175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -133.24 162.42 39.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 122.776 0.43 . . . . 0.0 110.191 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 p -152.9 94.22 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.55 -123.97 9.37 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 108.141 -1.984 . . . . 0.0 108.141 -170.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -99.22 2.0 45.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -79.63 160.36 26.4 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -141.06 120.12 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HD3' ' H62' ' D' ' 12' ' ' ' A' . 37.8 mtm180 -79.51 117.41 20.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 171.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -118.08 128.95 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.07 150.13 16.82 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.5 mt -134.05 145.17 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -135.66 103.46 5.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.92 154.02 54.54 Favored Pre-proline 0 N--CA 1.45 -0.447 0 C-N-CA 123.867 0.867 . . . . 0.0 108.7 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -66.57 150.47 83.91 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.782 2.321 . . . . 0.0 109.39 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.66 ' HE2' ' N3 ' ' D' ' 9' ' ' ' G' . 0.3 OUTLIER -63.73 -5.86 4.78 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 122.176 -0.327 . . . . 0.0 110.208 177.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -65.96 -10.73 41.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.921 1.288 . . . . 0.0 111.531 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m -136.48 159.39 38.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 109.212 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.15 153.72 17.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.323 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG12 ' N1 ' ' D' ' 9' ' ' ' G' . 1.2 p -153.41 132.3 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 173.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -155.86 164.14 38.9 Favored 'General case' 0 CA--C 1.522 -0.127 0 C-N-CA 122.897 0.479 . . . . 0.0 110.017 -177.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.2 ptp85 -77.52 160.24 28.76 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.1 -24.16 66.03 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -169.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -85.98 -5.6 59.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.241 0.928 . . . . 0.0 111.965 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -111.3 -33.85 2.32 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.31 0.644 . . . . 0.0 109.715 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -55.7 -40.5 72.47 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 118.054 0.388 . . . . 0.0 111.163 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -64.13 -20.48 66.01 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.232 0.213 . . . . 0.0 111.145 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -85.88 -36.58 19.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-O 119.319 -0.372 . . . . 0.0 111.142 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -62.15 -18.8 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -99.56 4.29 45.81 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.312 0.645 . . . . 0.0 111.409 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -129.92 -13.46 4.1 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.94 149.94 5.48 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HA ' ' H42' ' D' ' 7' ' ' ' C' . 2.8 mm? -122.7 161.89 23.02 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.345 0.573 . . . . 0.0 111.056 -172.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 70.7 p -142.55 1.82 1.38 Allowed 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.217 1.007 . . . . 0.0 110.501 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' N ' ' HD3' ' A' ' 58' ' ' PRO . . . -149.68 58.96 3.56 Favored Pre-proline 0 CA--C 1.537 0.459 0 C-N-CA 123.356 0.663 . . . . 0.0 110.699 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 57' ' ' ALA . 52.2 Cg_exo -56.04 178.2 0.12 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.893 3.062 . . . . 0.0 113.441 178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 123.626 0.77 . . . . 0.0 111.896 176.114 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.691 0 C4'-C3'-C2' 99.569 -3.131 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.552 0 C4'-C3'-C2' 99.42 -3.28 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 C4'-C3'-C2' 99.399 -3.301 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.859 0 C4'-C3'-C2' 99.557 -3.143 . 0.802 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.608 0 C4'-C3'-C2' 98.812 -3.888 . 0.636 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 O4'-C1'-N19 111.827 3.627 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 C4'-C3'-C2' 99.196 -3.504 . 0.428 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' G' . . . . . 0.432 " H2'" H5'' ' B' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.419 -2.851 0 O4'-C1'-N19 111.392 3.192 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' A' . . . . . 0.432 H5'' " H2'" ' B' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.531 1 C5'-C4'-C3' 109.263 -4.158 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.343 1 O4'-C1'-N19 112.428 4.228 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 C3'-C2'-C1' 104.015 2.794 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.882 0 P-O3'-C3' 122.015 1.929 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 C3'-C2'-C1' 104.438 3.264 . 0.177 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.725 0 O4'-C1'-N19 110.966 2.766 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' A' . . . . . 0.542 H5'' ' C8 ' ' B' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.331 0 C5'-C4'-C3' 111.481 -2.679 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.397 1 C5'-C4'-C3' 108.722 -4.519 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.61 0 C4'-C3'-C2' 99.522 -3.178 . 0.44 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 C4'-C3'-C2' 99.18 -3.52 . 0.745 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.654 0 C4'-C3'-C2' 100.033 -2.667 . 0.726 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 0 C4'-C3'-C2' 99.685 -3.015 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 99.641 -3.059 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.722 0 C4'-C3'-C2' 100.223 -2.477 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 48.0 tpp . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 119.728 -0.177 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.33 106.11 9.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -82.41 144.87 9.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.363 0.665 . . . . 0.0 109.258 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -142.22 134.56 27.82 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -93.24 147.87 22.53 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 174.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? -149.74 135.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -84.44 149.42 25.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -57.25 129.05 18.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.0 0.56 35.94 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.999 -179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -112.92 -174.91 2.55 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.495 1.148 . . . . 0.0 110.687 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 66.4 m -140.82 170.49 15.65 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 55.0 mt -144.35 165.36 13.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 126.643 1.977 . . . . 0.0 107.691 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -139.75 153.74 47.25 Favored 'General case' 0 C--N 1.338 0.093 0 O-C-N 121.707 -0.621 . . . . 0.0 112.252 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -143.25 142.73 25.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.39 -141.31 34.9 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -129.73 11.23 5.66 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.356 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -136.58 7.59 3.04 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.69 0.796 . . . . 0.0 111.881 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.81 146.67 33.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 CA-C-N 119.2 0.909 . . . . 0.0 110.594 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -138.42 155.59 48.35 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 mm -136.54 149.23 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 28.2 m -141.53 151.21 43.05 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -111.02 90.17 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.04 -31.19 72.3 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.042 -175.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.44 -169.02 34.33 Favored Glycine 0 C--N 1.338 0.691 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.718 174.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.97 163.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.231 0.101 0 C-N-CA 122.838 0.455 . . . . 0.0 110.151 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 46.0 t -153.24 107.2 3.06 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.42 -96.72 0.3 Allowed Glycine 0 C--N 1.333 0.386 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 -172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -126.12 -0.33 7.14 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.278 0.631 . . . . 0.0 110.449 173.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.22 160.64 32.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.09 120.21 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -80.97 116.51 20.97 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.8 mt -117.34 136.86 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.81 149.96 18.42 Favored Glycine 0 CA--C 1.519 0.338 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt -136.5 145.04 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -136.59 103.57 5.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.47 155.71 60.58 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.523 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -70.99 152.03 62.59 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.14 2.56 . . . . 0.0 110.144 175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -65.71 -2.12 3.36 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 122.202 -0.311 . . . . 0.0 110.755 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.99 -11.3 58.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.91 0.884 . . . . 0.0 110.781 172.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m -138.37 160.72 31.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 C-N-CA 123.7 0.8 . . . . 0.0 109.472 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.46 157.51 16.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 111.127 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -152.13 135.63 7.92 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.077 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -157.8 169.78 23.83 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 122.383 0.273 . . . . 0.0 111.248 -175.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.423 ' HA ' HD13 ' A' ' 12' ' ' ILE . 72.9 mtm-85 -72.02 157.55 37.6 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 170.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -64.88 -23.3 67.19 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.679 -0.638 . . . . 0.0 110.731 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.43 -4.39 58.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.327 0.651 . . . . 0.0 111.528 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.4 mm -115.45 -35.04 2.0 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.288 0.635 . . . . 0.0 110.186 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -56.55 -37.61 70.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 121.997 -0.44 . . . . 0.0 110.975 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -66.76 -20.48 65.96 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 121.958 0.103 . . . . 0.0 110.893 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -85.14 -35.54 21.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 119.329 -0.367 . . . . 0.0 110.622 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.411 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.9 mp -67.69 -23.26 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -94.41 2.48 55.77 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 122.126 -0.359 . . . . 0.0 111.507 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.56 -8.26 55.76 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 119.197 -0.43 . . . . 0.0 110.96 175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . 0.421 ' N ' HD13 ' C' ' 55' ' ' LEU . . . 139.63 20.15 0.41 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 117.014 1.566 . . . . 0.0 117.014 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.589 HD13 ' N ' ' C' ' 55' ' ' LEU . 0.0 OUTLIER -155.66 -164.81 1.82 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.152 1.476 . . . . 0.0 111.923 -167.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.7 t -118.82 -31.02 4.92 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 175.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.528 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -173.03 -41.31 0.0 OUTLIER Pre-proline 0 CA--C 1.531 0.245 0 C-N-CA 124.884 1.274 . . . . 0.0 111.054 168.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.528 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 40.5 Cg_exo -60.15 176.02 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.323 2.682 . . . . 0.0 113.153 176.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.765 177.368 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' -3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 C4'-C3'-C2' 99.421 -3.279 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' -2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C4'-C3'-C2' 99.338 -3.362 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' -1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 0 C4'-C3'-C2' 99.671 -3.029 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 C4'-C3'-C2' 99.435 -3.265 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.536 1 C4'-C3'-C2' 98.632 -4.068 . 0.593 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 0 C4'-C3'-C2' 98.823 -3.877 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.651 0 C4'-C3'-C2' 99.175 -3.525 . 0.332 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' ' G' . . . . . 0.455 " H2'" H5'' ' D' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.421 -2.661 0 O4'-C1'-N19 111.261 3.061 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ' A' . . . . . 0.455 H5'' " H2'" ' D' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 C5'-C4'-C3' 109.681 -3.88 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' ' C' . . . . . 0.421 ' H42' ' HA ' ' A' ' 55' ' ' LEU . . . . . . . . 0 O4'--C4' 1.421 -2.657 0 O4'-C1'-N19 111.584 3.384 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.467 0 O4'-C1'-N19 110.652 2.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ' G' . . . . . 0.66 ' N3 ' ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.42 -2.713 0 C5'-C4'-O4' 112.251 2.179 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C3'-C2'-C1' 104.227 3.03 . 0.106 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 0 O4'-C1'-N19 110.595 2.395 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ' A' . . . . . 0.522 ' C8 ' H5'' ' D' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C5'-C4'-C3' 111.302 -2.799 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.897 1 C5'-C4'-C3' 108.503 -4.664 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.007 0 C4'-C3'-C2' 99.307 -3.393 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.705 0 C4'-C3'-C2' 99.55 -3.15 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 0 C4'-C3'-C2' 99.979 -2.721 . 0.733 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.555 0 C4'-C3'-C2' 99.871 -2.829 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.557 0 C4'-C3'-C2' 99.409 -3.291 . 0.801 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 0 C4'-C3'-C2' 100.022 -2.678 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_